N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide

C12H7FN4O — CID 64949685

IUPACN-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccncc2F)nc1
InChIInChI=1S/C12H7FN4O/c13-10-7-15-4-3-9(10)12(18)17-11-2-1-8(5-14)6-16-11/h1-4,6-7H,(H,16,17,18)
InChIKeyJNGQFCMARANOBF-UHFFFAOYSA-N
MW242.21 g/mol
LogP1.74
Rot. Bonds2

About N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide

N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide (PubChem CID 64949685) has the molecular formula C12H7FN4O and a molecular weight of 242.21 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
PubChem CID64949685
Molecular FormulaC12H7FN4O
Molecular Weight242.21 g/mol
Exact Mass242.06
IUPAC NameN-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)c2ccncc2F)nc1
InChIInChI=1S/C12H7FN4O/c13-10-7-15-4-3-9(10)12(18)17-11-2-1-8(5-14)6-16-11/h1-4,6-7H,(H,16,17,18)
InChIKeyJNGQFCMARANOBF-UHFFFAOYSA-N
XLogP1.74
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
CID 105063451
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 104535200
N-(2-cyano-4-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 79953368
N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830947
N-(5-cyano-2-pyridinyl)-1H-pyrrole-3-carboxamide
CID 115273471
N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670305
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 115646253
N-(5-cyano-2-pyridinyl)thiophene-3-carboxamide
CID 55209975

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide (CID 64949685) is N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide is N#Cc1ccc(NC(=O)c2ccncc2F)nc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide?
The InChIKey is JNGQFCMARANOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4O/c13-10-7-15-4-3-9(10)12(18)17-11-2-1-8(5-14)6-16-11/h1-4,6-7H,(H,16,17,18).
What are the key properties of N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide?
N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide has a molecular weight of 242.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64949685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).