5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C18H16N4O — CID 109235531

IUPAC5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cncc(Nc2ccccc2)c1
InChIInChI=1S/C18H16N4O/c23-18(21-11-14-6-8-19-9-7-14)15-10-17(13-20-12-15)22-16-4-2-1-3-5-16/h1-10,12-13,22H,11H2,(H,21,23)
InChIKeyCUBFMUMTTQMBJN-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.15
Rot. Bonds5

About 5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 109235531) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID109235531
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cncc(Nc2ccccc2)c1
InChIInChI=1S/C18H16N4O/c23-18(21-11-14-6-8-19-9-7-14)15-10-17(13-20-12-15)22-16-4-2-1-3-5-16/h1-10,12-13,22H,11H2,(H,21,23)
InChIKeyCUBFMUMTTQMBJN-UHFFFAOYSA-N
XLogP3.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235533
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235617
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
ethyl 4-[[5-(pyridin-4-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235609
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
5-(2,4-difluoroanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235610
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
5-(furan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109231475
5-anilino-N-prop-2-enylpyridine-3-carboxamide
CID 109224036

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 109235531) is 5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccncc1)c1cncc(Nc2ccccc2)c1.
What is the InChIKey of 5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is CUBFMUMTTQMBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(21-11-14-6-8-19-9-7-14)15-10-17(13-20-12-15)22-16-4-2-1-3-5-16/h1-10,12-13,22H,11H2,(H,21,23).
What are the key properties of 5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).