4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide

C20H21N3O3 — CID 109080981

IUPAC4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(C(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C20H21N3O3/c1-13(24)14-5-4-8-17(11-14)23-19(25)15-9-10-21-18(12-15)20(26)22-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,22,26)(H,23,25)
InChIKeyWBLSGSVCHSLGQC-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.21
Rot. Bonds5

About 4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide

4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide (PubChem CID 109080981) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
PubChem CID109080981
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccnc(C(=O)NC3CCCC3)c2)c1
InChIInChI=1S/C20H21N3O3/c1-13(24)14-5-4-8-17(11-14)23-19(25)15-9-10-21-18(12-15)20(26)22-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,22,26)(H,23,25)
InChIKeyWBLSGSVCHSLGQC-UHFFFAOYSA-N
XLogP3.21
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080814
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095376
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
2-N-cyclopropyl-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109078757
N-(3-acetylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204307
4-N-(3-chloro-4-methylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080961
4-N-(3-acetylphenyl)-2-N-tert-butylpyridine-2,4-dicarboxamide
CID 109089304
2-N-cyclopentyl-4-N-(3,5-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081008
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080812
2-N-cyclohexyl-4-N-(3,4-dimethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109081613

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide (CID 109080981) is 4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide is CC(=O)c1cccc(NC(=O)c2ccnc(C(=O)NC3CCCC3)c2)c1.
What is the InChIKey of 4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide?
The InChIKey is WBLSGSVCHSLGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(24)14-5-4-8-17(11-14)23-19(25)15-9-10-21-18(12-15)20(26)22-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide?
4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).