N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide

C18H22ClN3O2 — CID 109195860

IUPACN-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2OC)nc1
InChIInChI=1S/C18H22ClN3O2/c1-3-4-5-10-20-14-7-8-15(21-12-14)18(23)22-16-11-13(19)6-9-17(16)24-2/h6-9,11-12,20H,3-5,10H2,1-2H3,(H,22,23)
InChIKeyFNKGFULKJBWGQB-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.60
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide (PubChem CID 109195860) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
PubChem CID109195860
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide
SMILESCCCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2OC)nc1
InChIInChI=1S/C18H22ClN3O2/c1-3-4-5-10-20-14-7-8-15(21-12-14)18(23)22-16-11-13(19)6-9-17(16)24-2/h6-9,11-12,20H,3-5,10H2,1-2H3,(H,22,23)
InChIKeyFNKGFULKJBWGQB-UHFFFAOYSA-N
XLogP4.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109240172
N-(2,5-dimethoxyphenyl)-5-(propylamino)pyridine-2-carboxamide
CID 109179374
N-(4-chloro-2-methylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195856
N-(5-chloro-2-methoxyphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354452
N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312013
N-(5-chloro-2-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189781
5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109180935
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179760
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
5-(5-chloro-2-methylanilino)-N-(2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 109199397
N-(5-chloro-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184481
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide (CID 109195860) is N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide is CCCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2OC)nc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide?
The InChIKey is FNKGFULKJBWGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-3-4-5-10-20-14-7-8-15(21-12-14)18(23)22-16-11-13(19)6-9-17(16)24-2/h6-9,11-12,20H,3-5,10H2,1-2H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-5-(pentylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109195860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).