6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C18H16N4O — CID 117083141

IUPAC6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESNc1cccc(-c2cccc(C(=O)NCc3cccnc3)n2)c1
InChIInChI=1S/C18H16N4O/c19-15-6-1-5-14(10-15)16-7-2-8-17(22-16)18(23)21-12-13-4-3-9-20-11-13/h1-11H,12,19H2,(H,21,23)
InChIKeyJYRCDYKYZMJUJT-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.66
Rot. Bonds4

About 6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 117083141) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID117083141
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESNc1cccc(-c2cccc(C(=O)NCc3cccnc3)n2)c1
InChIInChI=1S/C18H16N4O/c19-15-6-1-5-14(10-15)16-7-2-8-17(22-16)18(23)21-12-13-4-3-9-20-11-13/h1-11H,12,19H2,(H,21,23)
InChIKeyJYRCDYKYZMJUJT-UHFFFAOYSA-N
XLogP2.66
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117093745
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70300494
2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094037
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
dicopper;methanol;bis(6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylate);dichloride;pentahydrate
CID 139158103
2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70304756
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098258
6-N-(2,6-diethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098267
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 95825804

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 117083141) is 6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is Nc1cccc(-c2cccc(C(=O)NCc3cccnc3)n2)c1.
What is the InChIKey of 6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is JYRCDYKYZMJUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c19-15-6-1-5-14(10-15)16-7-2-8-17(22-16)18(23)21-12-13-4-3-9-20-11-13/h1-11H,12,19H2,(H,21,23).
What are the key properties of 6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 117083141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).