N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide

C16H23N3O2 — CID 91925632

IUPACN-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESCCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1
InChIInChI=1S/C16H23N3O2/c1-2-3-9-18-16(21)13-5-4-6-14(13)19-15(20)12-7-10-17-11-8-12/h7-8,10-11,13-14H,2-6,9H2,1H3,(H,18,21)(H,19,20)/t13-,14+/m0/s1
InChIKeyZPXPFGDIZVLPQC-UONOGXRCSA-N
MW289.38 g/mol
LogP1.90
Rot. Bonds6

About N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide

N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (PubChem CID 91925632) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
PubChem CID91925632
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide
SMILESCCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1
InChIInChI=1S/C16H23N3O2/c1-2-3-9-18-16(21)13-5-4-6-14(13)19-15(20)12-7-10-17-11-8-12/h7-8,10-11,13-14H,2-6,9H2,1H3,(H,18,21)(H,19,20)/t13-,14+/m0/s1
InChIKeyZPXPFGDIZVLPQC-UONOGXRCSA-N
XLogP1.90
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 ≤ 51.90
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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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide (CID 91925632) is N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is CCCCNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccncc1.
What is the InChIKey of N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
The InChIKey is ZPXPFGDIZVLPQC-UONOGXRCSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-3-9-18-16(21)13-5-4-6-14(13)19-15(20)12-7-10-17-11-8-12/h7-8,10-11,13-14H,2-6,9H2,1H3,(H,18,21)(H,19,20)/t13-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide?
N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(butylcarbamoyl)cyclopentyl]pyridine-4-carboxamide is sourced from PubChem (CID 91925632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).