2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide

C23H21N3O3 — CID 109086071

IUPAC2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C(=O)NC(C)c3ccccc3)ccn2)cc1
InChIInChI=1S/C23H21N3O3/c1-15(17-6-4-3-5-7-17)25-22(28)19-12-13-24-21(14-19)23(29)26-20-10-8-18(9-11-20)16(2)27/h3-15H,1-2H3,(H,25,28)(H,26,29)
InChIKeyNYHJYRLPFHOJIA-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.03
Rot. Bonds6

About 2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide

2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109086071) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID109086071
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C(=O)NC(C)c3ccccc3)ccn2)cc1
InChIInChI=1S/C23H21N3O3/c1-15(17-6-4-3-5-7-17)25-22(28)19-12-13-24-21(14-19)23(29)26-20-10-8-18(9-11-20)16(2)27/h3-15H,1-2H3,(H,25,28)(H,26,29)
InChIKeyNYHJYRLPFHOJIA-UHFFFAOYSA-N
XLogP4.03
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210842
4-(1-phenylethylcarbamoyl)pyridine-2-carboxylic acid
CID 115730036
4-N-(3-fluorophenyl)-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086154
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
4-N-(4-acetylphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092659
4-N-(4-acetylphenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092310
2-N-(4-acetylphenyl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109093206
2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078101
2-fluoro-N-[(1S)-1-phenylethyl]pyridine-4-carboxamide
CID 113233055
4-N-[(4-chlorophenyl)methyl]-2-N-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086090

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide (CID 109086071) is 2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide is CC(=O)c1ccc(NC(=O)c2cc(C(=O)NC(C)c3ccccc3)ccn2)cc1.
What is the InChIKey of 2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is NYHJYRLPFHOJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-15(17-6-4-3-5-7-17)25-22(28)19-12-13-24-21(14-19)23(29)26-20-10-8-18(9-11-20)16(2)27/h3-15H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide?
2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 387.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-acetylphenyl)-4-N-(1-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109086071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).