N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide

C18H22ClN3O — CID 109195856

IUPACN-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C18H22ClN3O/c1-3-4-5-10-20-15-7-9-17(21-12-15)18(23)22-16-8-6-14(19)11-13(16)2/h6-9,11-12,20H,3-5,10H2,1-2H3,(H,22,23)
InChIKeyFTRPWVHYVNAZEE-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.90
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide

N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide (PubChem CID 109195856) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
PubChem CID109195856
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(Cl)cc2C)nc1
InChIInChI=1S/C18H22ClN3O/c1-3-4-5-10-20-15-7-9-17(21-12-15)18(23)22-16-8-6-14(19)11-13(16)2/h6-9,11-12,20H,3-5,10H2,1-2H3,(H,22,23)
InChIKeyFTRPWVHYVNAZEE-UHFFFAOYSA-N
XLogP4.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.90
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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Related Compounds

N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195857
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195860
5-(tert-butylamino)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109195211
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181316
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
N-(5-chloro-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184481
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
N-(5-chloro-2-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109186180
N-(5-chloro-2-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640210
N-(2,5-difluorophenyl)-5-(propylamino)pyridine-2-carboxamide
CID 104639737

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide (CID 109195856) is N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide is CCCCCNc1ccc(C(=O)Nc2ccc(Cl)cc2C)nc1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The InChIKey is FTRPWVHYVNAZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-3-4-5-10-20-15-7-9-17(21-12-15)18(23)22-16-8-6-14(19)11-13(16)2/h6-9,11-12,20H,3-5,10H2,1-2H3,(H,22,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide has a molecular weight of 331.85 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).