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

C20H21N3O3 — CID 109080814

IUPAC2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C(=O)NC3CCCC3)ccn2)c1
InChIInChI=1S/C20H21N3O3/c1-13(24)14-5-4-8-17(11-14)23-20(26)18-12-15(9-10-21-18)19(25)22-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,22,25)(H,23,26)
InChIKeyOUAVFBKSZPZNBD-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.21
Rot. Bonds5

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

2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide (PubChem CID 109080814) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
PubChem CID109080814
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C(=O)NC3CCCC3)ccn2)c1
InChIInChI=1S/C20H21N3O3/c1-13(24)14-5-4-8-17(11-14)23-20(26)18-12-15(9-10-21-18)19(25)22-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,22,25)(H,23,26)
InChIKeyOUAVFBKSZPZNBD-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

4-N-(3-acetylphenyl)-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080981
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
N-(3-acetylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204307
2-N-(3-acetylphenyl)-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095376
4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080812
2-N-(3-acetylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090859
4-N-cyclohexyl-2-N-(3,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109081429
4-N-(3-acetylphenyl)-2-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092883
4-N-cyclopentyl-2-N-(2,6-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109080842
4-N-cyclopentyl-2-N-(2,6-diethylphenyl)pyridine-2,4-dicarboxamide
CID 109080782
4-N-cyclopentyl-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109080780
2-N-(3-chloro-4-fluorophenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109080795

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide (CID 109080814) is 2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cc(C(=O)NC3CCCC3)ccn2)c1.
What is the InChIKey of 2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide?
The InChIKey is OUAVFBKSZPZNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(24)14-5-4-8-17(11-14)23-20(26)18-12-15(9-10-21-18)19(25)22-16-6-2-3-7-16/h4-5,8-12,16H,2-3,6-7H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide?
2-N-(3-acetylphenyl)-4-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 2-N-(3-acetylphenyl)-4-N-cyclopentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109080814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).