2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide

C21H18N4O3 — CID 109087382

IUPAC2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C(=O)NCc3cccnc3)ccn2)cc1
InChIInChI=1S/C21H18N4O3/c1-14(26)16-4-6-18(7-5-16)25-21(28)19-11-17(8-10-23-19)20(27)24-13-15-3-2-9-22-12-15/h2-12H,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyRIIRPERLZFZMKS-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.86
Rot. Bonds6

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

2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087382) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087382
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc(C(=O)NCc3cccnc3)ccn2)cc1
InChIInChI=1S/C21H18N4O3/c1-14(26)16-4-6-18(7-5-16)25-21(28)19-11-17(8-10-23-19)20(27)24-13-15-3-2-9-22-12-15/h2-12H,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyRIIRPERLZFZMKS-UHFFFAOYSA-N
XLogP2.86
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-tert-butylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087356
3-N-(4-acetylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055137
2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087397
2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
4-N-(4-cyanophenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087495
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
2-N-(4-acetylphenyl)-4-N-(furan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085109
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
2-N-(2-propan-2-yloxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087376
4-N-(4-acetylphenyl)-2-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092310

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087382) is 2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is CC(=O)c1ccc(NC(=O)c2cc(C(=O)NCc3cccnc3)ccn2)cc1.
What is the InChIKey of 2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is RIIRPERLZFZMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-14(26)16-4-6-18(7-5-16)25-21(28)19-11-17(8-10-23-19)20(27)24-13-15-3-2-9-22-12-15/h2-12H,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).