2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide

C19H24ClN3O3 — CID 109175390

IUPAC2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C19H24ClN3O3/c1-4-5-6-8-22-19(24)13-7-9-21-18(10-13)23-15-12-16(25-2)14(20)11-17(15)26-3/h7,9-12H,4-6,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXTPQHINWDMQBCO-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.42
Rot. Bonds9

About 2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide

2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide (PubChem CID 109175390) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
PubChem CID109175390
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
SMILESCCCCCNC(=O)c1ccnc(Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C19H24ClN3O3/c1-4-5-6-8-22-19(24)13-7-9-21-18(10-13)23-15-12-16(25-2)14(20)11-17(15)26-3/h7,9-12H,4-6,8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXTPQHINWDMQBCO-UHFFFAOYSA-N
XLogP4.42
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-(4-chloro-2,5-dimethoxyanilino)pyridine-4-carboxamide
CID 109165879
N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109202644
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 109176191
2-(2-methylanilino)-N-pentylpyridine-4-carboxamide
CID 109175321
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
2-(2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167087
2-(2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167090
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176377
azepan-1-yl-[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]methanone
CID 109176055
[2-(4-chloro-2,5-dimethoxyanilino)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166204
methyl 4-chloro-3-[[4-(propylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165073
2-(2,5-dichloroanilino)-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109167133

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide (CID 109175390) is 2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide is CCCCCNC(=O)c1ccnc(Nc2cc(OC)c(Cl)cc2OC)c1.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide?
The InChIKey is XTPQHINWDMQBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-4-5-6-8-22-19(24)13-7-9-21-18(10-13)23-15-12-16(25-2)14(20)11-17(15)26-3/h7,9-12H,4-6,8H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide?
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide has a molecular weight of 377.87 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide is sourced from PubChem (CID 109175390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).