N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide

C18H22ClN3O — CID 109195857

IUPACN-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)nc1
InChIInChI=1S/C18H22ClN3O/c1-3-4-5-10-20-15-8-9-17(21-12-15)18(23)22-14-7-6-13(2)16(19)11-14/h6-9,11-12,20H,3-5,10H2,1-2H3,(H,22,23)
InChIKeyLZGFQCKOOHMNKT-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.90
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide

N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide (PubChem CID 109195857) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
PubChem CID109195857
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)nc1
InChIInChI=1S/C18H22ClN3O/c1-3-4-5-10-20-15-8-9-17(21-12-15)18(23)22-14-7-6-13(2)16(19)11-14/h6-9,11-12,20H,3-5,10H2,1-2H3,(H,22,23)
InChIKeyLZGFQCKOOHMNKT-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-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
N-(3,5-dimethylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195837
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195856
N-(4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195830
N-(3-chloro-4-methylphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312009
5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109180935
N-(3-chloro-4-methylphenyl)-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181317
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
5-(butylamino)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109180928
N-(3-chloro-4-methylphenyl)-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188320
3-chloro-N-dodecyl-4-methylaniline
CID 63487569
methyl 4-[[5-(pentylamino)pyridine-2-carbonyl]amino]benzoate
CID 109195883

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide (CID 109195857) is N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide is CCCCCNc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)nc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The InChIKey is LZGFQCKOOHMNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-3-4-5-10-20-15-8-9-17(21-12-15)18(23)22-14-7-6-13(2)16(19)11-14/h6-9,11-12,20H,3-5,10H2,1-2H3,(H,22,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide?
N-(3-chloro-4-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-(3-chloro-4-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).