2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

C20H17N3O2 — CID 117089751

IUPAC2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(-c2cc(C(=O)NCc3cccnc3)ccn2)c1
InChIInChI=1S/C20H17N3O2/c1-14(24)16-5-2-6-17(10-16)19-11-18(7-9-22-19)20(25)23-13-15-4-3-8-21-12-15/h2-12H,13H2,1H3,(H,23,25)
InChIKeyCDGOAJKZRHXHBN-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.28
Rot. Bonds5

About 2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide

2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 117089751) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID117089751
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
SMILESCC(=O)c1cccc(-c2cc(C(=O)NCc3cccnc3)ccn2)c1
InChIInChI=1S/C20H17N3O2/c1-14(24)16-5-2-6-17(10-16)19-11-18(7-9-22-19)20(25)23-13-15-4-3-8-21-12-15/h2-12H,13H2,1H3,(H,23,25)
InChIKeyCDGOAJKZRHXHBN-UHFFFAOYSA-N
XLogP3.28
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087382
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
5-[(3-acetylphenoxy)methyl]-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 42194211
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
1-(3-acetylphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 970859
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
1-N-(pyridin-1-ium-3-ylmethyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 3619062

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide (CID 117089751) is 2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is CC(=O)c1cccc(-c2cc(C(=O)NCc3cccnc3)ccn2)c1.
What is the InChIKey of 2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is CDGOAJKZRHXHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-14(24)16-5-2-6-17(10-16)19-11-18(7-9-22-19)20(25)23-13-15-4-3-8-21-12-15/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of 2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide?
2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 117089751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).