N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide

C16H14N4O — CID 71801417

IUPACN-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-n2cccc2)ccn1
InChIInChI=1S/C16H14N4O/c21-16(19-12-13-4-3-6-17-11-13)15-10-14(5-7-18-15)20-8-1-2-9-20/h1-11H,12H2,(H,19,21)
InChIKeyCKWXUWKVSCGPTF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.20
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide

N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide (PubChem CID 71801417) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide
PubChem CID71801417
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC NameN-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cc(-n2cccc2)ccn1
InChIInChI=1S/C16H14N4O/c21-16(19-12-13-4-3-6-17-11-13)15-10-14(5-7-18-15)20-8-1-2-9-20/h1-11H,12H2,(H,19,21)
InChIKeyCKWXUWKVSCGPTF-UHFFFAOYSA-N
XLogP2.20
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886
4-N-benzyl-4-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109086176
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
4-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213080
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109212998
4-[(4-ethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 56876202
4-[[[6-(pyridin-3-ylmethylcarbamoyl)pyrimidine-4-carbonyl]amino]methyl]benzoic acid
CID 10222039
N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213049

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide (CID 71801417) is N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide is O=C(NCc1cccnc1)c1cc(-n2cccc2)ccn1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide?
The InChIKey is CKWXUWKVSCGPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-16(19-12-13-4-3-6-17-11-13)15-10-14(5-7-18-15)20-8-1-2-9-20/h1-11H,12H2,(H,19,21).
What are the key properties of N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide?
N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-4-pyrrol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 71801417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).