5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide

C18H22ClN3O — CID 109224617

IUPAC5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O/c1-2-3-8-21-17-11-15(12-20-13-17)18(23)22-9-7-14-5-4-6-16(19)10-14/h4-6,10-13,21H,2-3,7-9H2,1H3,(H,22,23)
InChIKeyRSPCJMCVCNHWSX-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.92
Rot. Bonds8

About 5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide

5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109224617) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID109224617
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCCCCNc1cncc(C(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C18H22ClN3O/c1-2-3-8-21-17-11-15(12-20-13-17)18(23)22-9-7-14-5-4-6-16(19)10-14/h4-6,10-13,21H,2-3,7-9H2,1H3,(H,22,23)
InChIKeyRSPCJMCVCNHWSX-UHFFFAOYSA-N
XLogP3.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239903
N-[2-(3-methoxyphenyl)ethyl]-5-(pentylamino)pyridine-3-carboxamide
CID 109236721
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
5-(butylamino)-N-propylpyridine-3-carboxamide
CID 109222762
N-[2-(3-chlorophenyl)ethyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109241132
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103459
N-[2-(3-chlorophenyl)ethyl]-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109241131
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
5-(3-chloroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236453
5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779
5-[2-(3-chlorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109241188
5-N-[2-(4-chlorophenyl)ethyl]-3-N-pentylpyridine-3,5-dicarboxamide
CID 109106595

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide (CID 109224617) is 5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide is CCCCNc1cncc(C(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is RSPCJMCVCNHWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-2-3-8-21-17-11-15(12-20-13-17)18(23)22-9-7-14-5-4-6-16(19)10-14/h4-6,10-13,21H,2-3,7-9H2,1H3,(H,22,23).
What are the key properties of 5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide?
5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-[2-(3-chlorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109224617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).