N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide

C17H20ClN3O2 — CID 109151743

IUPACN-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)nc1
InChIInChI=1S/C17H20ClN3O2/c1-3-4-9-19-17(22)12-5-8-16(20-11-12)21-13-6-7-15(23-2)14(18)10-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMMADOAJNMXBPEN-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.02
Rot. Bonds7

About N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide

N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide (PubChem CID 109151743) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
PubChem CID109151743
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)nc1
InChIInChI=1S/C17H20ClN3O2/c1-3-4-9-19-17(22)12-5-8-16(20-11-12)21-13-6-7-15(23-2)14(18)10-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyMMADOAJNMXBPEN-UHFFFAOYSA-N
XLogP4.02
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.02
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

2-(3-chloro-4-methoxyanilino)-N-pentylpyrimidine-5-carboxamide
CID 109263674
N-butyl-6-(3-chloro-4-methoxyanilino)pyrimidine-4-carboxamide
CID 109340122
N-(3-chloro-4-methoxyphenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109163790
6-(3-chloro-4-methoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846848
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113019095
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153417
2-(3-chloro-4-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109262632
N-(3-chloro-4-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62184786
5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184305
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3,4-difluorobenzamide
CID 113019113
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477
5-(butylamino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109180935

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide (CID 109151743) is N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide is CCCCNC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)nc1.
What is the InChIKey of N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is MMADOAJNMXBPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-3-4-9-19-17(22)12-5-8-16(20-11-12)21-13-6-7-15(23-2)14(18)10-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide?
N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109151743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).