4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide

C16H23N3O2 — CID 109079185

IUPAC4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C16H23N3O2/c1-2-3-9-18-15(20)12-8-10-17-14(11-12)16(21)19-13-6-4-5-7-13/h8,10-11,13H,2-7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeySLEXVAGWIWQYGK-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.28
Rot. Bonds6

About 4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide

4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide (PubChem CID 109079185) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
PubChem CID109079185
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1ccnc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C16H23N3O2/c1-2-3-9-18-15(20)12-8-10-17-14(11-12)16(21)19-13-6-4-5-7-13/h8,10-11,13H,2-7,9H2,1H3,(H,18,20)(H,19,21)
InChIKeySLEXVAGWIWQYGK-UHFFFAOYSA-N
XLogP2.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
N-butyl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109202468
ethyl 4-[[2-(pentylcarbamoyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109088657
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081545
4-N-cycloheptyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089061
4-N-cyclohexyl-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109081406
5-N-cyclopentyl-3-N-pentylpyridine-3,5-dicarboxamide
CID 109102730

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide (CID 109079185) is 4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide is CCCCNC(=O)c1ccnc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide?
The InChIKey is SLEXVAGWIWQYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-3-9-18-15(20)12-8-10-17-14(11-12)16(21)19-13-6-4-5-7-13/h8,10-11,13H,2-7,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide?
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).