N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C14H9F3N4O2 — CID 71974502

IUPACN-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ncccc2OCC(F)(F)F)nc1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)8-23-10-2-1-5-19-12(10)13(22)21-11-4-3-9(6-18)7-20-11/h1-5,7H,8H2,(H,20,21,22)
InChIKeyAWDAWUSRHRCEBC-UHFFFAOYSA-N
MW322.25 g/mol
LogP2.54
Rot. Bonds4

About N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 71974502) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID71974502
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC NameN-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ncccc2OCC(F)(F)F)nc1
InChIInChI=1S/C14H9F3N4O2/c15-14(16,17)8-23-10-2-1-5-19-12(10)13(22)21-11-4-3-9(6-18)7-20-11/h1-5,7H,8H2,(H,20,21,22)
InChIKeyAWDAWUSRHRCEBC-UHFFFAOYSA-N
XLogP2.54
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;hydrochloride
CID 120998482
N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 64949685
N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
CID 105063451
N-(2-methylpropylsulfonyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 99775639
N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide
CID 69301058
phenyl N-(5-cyano-2-pyridinyl)carbamate
CID 57469773
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 104535200
1-(5-cyano-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 121004595
6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 56815275

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 71974502) is N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is N#Cc1ccc(NC(=O)c2ncccc2OCC(F)(F)F)nc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is AWDAWUSRHRCEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c15-14(16,17)8-23-10-2-1-5-19-12(10)13(22)21-11-4-3-9(6-18)7-20-11/h1-5,7H,8H2,(H,20,21,22).
What are the key properties of N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 322.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71974502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).