N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide

C18H22ClN3O3 — CID 109224522

IUPACN-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C18H22ClN3O3/c1-4-5-6-21-18(23)12-7-13(11-20-10-12)22-15-9-16(24-2)14(19)8-17(15)25-3/h7-11,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyVHSXBEHQJRPVAC-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.03
Rot. Bonds8

About N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide

N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide (PubChem CID 109224522) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
PubChem CID109224522
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(Nc2cc(OC)c(Cl)cc2OC)c1
InChIInChI=1S/C18H22ClN3O3/c1-4-5-6-21-18(23)12-7-13(11-20-10-12)22-15-9-16(24-2)14(19)8-17(15)25-3/h7-11,22H,4-6H2,1-3H3,(H,21,23)
InChIKeyVHSXBEHQJRPVAC-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

5-(4-chloro-2,5-dimethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228175
3-N-butyl-5-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3,5-dicarboxamide
CID 109102088
5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235620
N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109202644
N-butyl-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109224477
N-butyl-5-(2,6-dichloroanilino)pyridine-3-carboxamide
CID 109224520
2-(4-chloro-2,5-dimethoxyanilino)-N-pentylpyridine-4-carboxamide
CID 109175390
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894
5-(2,5-dichloroanilino)-N-pentylpyridine-3-carboxamide
CID 109240111
methyl 2-[[5-(pentylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109240079
5-N-(4-chloro-2,5-dimethoxyphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104532128
N-butyl-5-(3-chloro-4-fluoroanilino)pyridine-3-carboxamide
CID 109224461

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide (CID 109224522) is N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide is CCCCNC(=O)c1cncc(Nc2cc(OC)c(Cl)cc2OC)c1.
What is the InChIKey of N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide?
The InChIKey is VHSXBEHQJRPVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-4-5-6-21-18(23)12-7-13(11-20-10-12)22-15-9-16(24-2)14(19)8-17(15)25-3/h7-11,22H,4-6H2,1-3H3,(H,21,23).
What are the key properties of N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide?
N-butyl-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-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-5-(4-chloro-2,5-dimethoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109224522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).