5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C18H16N4O — CID 109234957

IUPAC5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(Nc2ccccc2)c1
InChIInChI=1S/C18H16N4O/c23-18(21-13-16-8-4-5-9-20-16)14-10-17(12-19-11-14)22-15-6-2-1-3-7-15/h1-12,22H,13H2,(H,21,23)
InChIKeyNANKGPINZSVMAE-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.15
Rot. Bonds5

About 5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide

5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 109234957) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID109234957
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cncc(Nc2ccccc2)c1
InChIInChI=1S/C18H16N4O/c23-18(21-13-16-8-4-5-9-20-16)14-10-17(12-19-11-14)22-15-6-2-1-3-7-15/h1-12,22H,13H2,(H,21,23)
InChIKeyNANKGPINZSVMAE-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-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234998
methyl 4-[[5-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109235016
N-(pyridin-2-ylmethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109235020
5-(4-bromo-3-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235030
5-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235050
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109235057
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109227845
5-[(4-chlorophenyl)methylamino]-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234070
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
3-[5-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76909072
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864

Frequently Asked Questions

What is the IUPAC name of 5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 109234957) is 5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccccn1)c1cncc(Nc2ccccc2)c1.
What is the InChIKey of 5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NANKGPINZSVMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c23-18(21-13-16-8-4-5-9-20-16)14-10-17(12-19-11-14)22-15-6-2-1-3-7-15/h1-12,22H,13H2,(H,21,23).
What are the key properties of 5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
5-anilino-N-(pyridin-2-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-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109234957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).