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

C13H10N4O2 — CID 105063451

IUPACN-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C13H10N4O2/c1-19-11-8-15-5-4-10(11)13(18)17-12-3-2-9(6-14)7-16-12/h2-5,7-8H,1H3,(H,16,17,18)
InChIKeyZGXSDWQPJQIKAU-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.61
Rot. Bonds3

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

N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide (PubChem CID 105063451) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
PubChem CID105063451
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC NameN-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C13H10N4O2/c1-19-11-8-15-5-4-10(11)13(18)17-12-3-2-9(6-14)7-16-12/h2-5,7-8H,1H3,(H,16,17,18)
InChIKeyZGXSDWQPJQIKAU-UHFFFAOYSA-N
XLogP1.61
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyano-2-pyridinyl)-3-fluoropyridine-4-carboxamide
CID 64949685
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
N-(5-cyano-2-methylphenyl)-3-methoxypyridine-4-carboxamide
CID 105063446
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
N-[4-(cyanomethyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 105063448
N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113037270
N-(5-cyano-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830947
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
3-methoxy-N-(1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 105063971
N-(5-cyano-2-pyridinyl)-3,6-dimethylpyridazine-4-carboxamide
CID 104670305
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide (CID 105063451) is N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide?
The InChIKey is ZGXSDWQPJQIKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-19-11-8-15-5-4-10(11)13(18)17-12-3-2-9(6-14)7-16-12/h2-5,7-8H,1H3,(H,16,17,18).
What are the key properties of N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide?
N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.61, 3 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-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105063451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).