Chemical ID: 4740328

c1ccc(cc1)Oc2c(cccn2)C(=O)NCC3CC3
Chemical ID:
4740328
Name [?]:
N-(cyclopropylmethyl)-2-phenoxy-pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)Oc2c(cccn2)C(=O)NCC3CC3
InChi [?]:
InChI=1/C16H16N2O2/c19-15(18-11-12-8-9-12)14-7-4-10-17-16(14)20-13-5-2-1-3-6-13/h1-7,10,12H,8-9,11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,11,3,5,10,19,20,12,17,18,4,9,14,8,13,16,15,7/E:(2,3)(5,6)(8,9)/rA:20nCCCCCCOCCCCCNCONCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s9;d14;s14;s16;s17;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.6179
Area:477.354
Solvation:-3.31596
Coulombic:-35.8682
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:268.311
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.12
LogP (Chemaxon):2.47

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