N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide

C17H18ClN3O3 — CID 113036885

IUPACN-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1cc(Nc2ccc(NC(=O)C3CC3)nc2)c(OC)cc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-23-14-8-13(15(24-2)7-12(14)18)20-11-5-6-16(19-9-11)21-17(22)10-3-4-10/h5-10,20H,3-4H2,1-2H3,(H,19,21,22)
InChIKeyGAKBMNKDMZQBGX-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.84
Rot. Bonds6

About N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide

N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 113036885) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID113036885
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESCOc1cc(Nc2ccc(NC(=O)C3CC3)nc2)c(OC)cc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-23-14-8-13(15(24-2)7-12(14)18)20-11-5-6-16(19-9-11)21-17(22)10-3-4-10/h5-10,20H,3-4H2,1-2H3,(H,19,21,22)
InChIKeyGAKBMNKDMZQBGX-UHFFFAOYSA-N
XLogP3.84
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide 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-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113022471
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113022464
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113033852
N-[4-(4-chloro-2,5-dimethoxyanilino)phenyl]oxane-4-carboxamide
CID 112989722
1-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-3-cyclohexylurea
CID 113036939
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanesulfonamide
CID 113022491
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[5-(2,3-dichloroanilino)-2-pyridinyl]-2-methoxybenzamide
CID 113036860

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide (CID 113036885) is N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide is COc1cc(Nc2ccc(NC(=O)C3CC3)nc2)c(OC)cc1Cl.
What is the InChIKey of N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is GAKBMNKDMZQBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-23-14-8-13(15(24-2)7-12(14)18)20-11-5-6-16(19-9-11)21-17(22)10-3-4-10/h5-10,20H,3-4H2,1-2H3,(H,19,21,22).
What are the key properties of N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide?
N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 347.80 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloro-2,5-dimethoxyanilino)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113036885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).