5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide

C16H18ClN3O — CID 109180928

IUPAC5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H18ClN3O/c1-2-3-10-18-14-8-9-15(19-11-14)16(21)20-13-6-4-12(17)5-7-13/h4-9,11,18H,2-3,10H2,1H3,(H,20,21)
InChIKeyXUQVNKNMJFVHEX-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.20
Rot. Bonds6

About 5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide

5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide (PubChem CID 109180928) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
PubChem CID109180928
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
SMILESCCCCNc1ccc(C(=O)Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H18ClN3O/c1-2-3-10-18-14-8-9-15(19-11-14)16(21)20-13-6-4-12(17)5-7-13/h4-9,11,18H,2-3,10H2,1H3,(H,20,21)
InChIKeyXUQVNKNMJFVHEX-UHFFFAOYSA-N
XLogP4.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.20
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

N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109180924
N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883
5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109180935
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195856
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
N-butan-2-yl-5-(butylamino)pyridine-2-carboxamide
CID 109180814

Frequently Asked Questions

What is the IUPAC name of 5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide (CID 109180928) is 5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide is CCCCNc1ccc(C(=O)Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of 5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide?
The InChIKey is XUQVNKNMJFVHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-3-10-18-14-8-9-15(19-11-14)16(21)20-13-6-4-12(17)5-7-13/h4-9,11,18H,2-3,10H2,1H3,(H,20,21).
What are the key properties of 5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide?
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109180928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).