N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide

C18H22ClN3O3 — CID 109202644

IUPACN-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2cc(OC)c(Cl)cc2OC)ccn1
InChIInChI=1S/C18H22ClN3O3/c1-4-5-7-21-18(23)15-9-12(6-8-20-15)22-14-11-16(24-2)13(19)10-17(14)25-3/h6,8-11H,4-5,7H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWGHVBPKHJBKTSE-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.03
Rot. Bonds8

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

N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide (PubChem CID 109202644) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide
PubChem CID109202644
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2cc(OC)c(Cl)cc2OC)ccn1
InChIInChI=1S/C18H22ClN3O3/c1-4-5-7-21-18(23)15-9-12(6-8-20-15)22-14-11-16(24-2)13(19)10-17(14)25-3/h6,8-11H,4-5,7H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWGHVBPKHJBKTSE-UHFFFAOYSA-N
XLogP4.03
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109202633
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109224522
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184365
N-butyl-6-(3-chloro-4-methoxyanilino)pyrimidine-4-carboxamide
CID 109340122
4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205769
N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219056
6-(4-chloro-2,5-dimethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109384
N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202636
N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
4-(2,4-dichloroanilino)-N-propylpyridine-2-carboxamide
CID 109201162

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide (CID 109202644) is N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide is CCCCNC(=O)c1cc(Nc2cc(OC)c(Cl)cc2OC)ccn1.
What is the InChIKey of N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide?
The InChIKey is WGHVBPKHJBKTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-4-5-7-21-18(23)15-9-12(6-8-20-15)22-14-11-16(24-2)13(19)10-17(14)25-3/h6,8-11H,4-5,7H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide?
N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109202644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).