N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H12F3N3O2 — CID 134005289

IUPACN-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2cccnc2OCC(F)(F)F)c1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)10-24-15-13(5-2-6-21-15)14(23)22-9-12-4-1-3-11(7-12)8-20/h1-7H,9-10H2,(H,22,23)
InChIKeyCHMLUNKFKZMPOP-UHFFFAOYSA-N
MW335.29 g/mol
LogP2.82
Rot. Bonds5

About N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 134005289) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID134005289
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC NameN-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2cccnc2OCC(F)(F)F)c1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)10-24-15-13(5-2-6-21-15)14(23)22-9-12-4-1-3-11(7-12)8-20/h1-7H,9-10H2,(H,22,23)
InChIKeyCHMLUNKFKZMPOP-UHFFFAOYSA-N
XLogP2.82
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727206
N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31909915
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46482950
N-[(6-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87041610
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31848498
3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
2-bromo-N-[(3-cyanophenyl)methyl]-3-methylbenzamide
CID 103853121
N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide
CID 81256233
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide
CID 62314064

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 134005289) is N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is N#Cc1cccc(CNC(=O)c2cccnc2OCC(F)(F)F)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is CHMLUNKFKZMPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)10-24-15-13(5-2-6-21-15)14(23)22-9-12-4-1-3-11(7-12)8-20/h1-7H,9-10H2,(H,22,23).
What are the key properties of N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 335.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 134005289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).