4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide

C16H18ClN3O3 — CID 109205769

IUPAC4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2ccc(OC)c(Cl)c2)ccn1
InChIInChI=1S/C16H18ClN3O3/c1-22-8-7-19-16(21)14-10-12(5-6-18-14)20-11-3-4-15(23-2)13(17)9-11/h3-6,9-10H,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHDWZXUUFRYRVNM-UHFFFAOYSA-N
MW335.79 g/mol
LogP2.86
Rot. Bonds7

About 4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide

4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 109205769) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID109205769
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Name4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2ccc(OC)c(Cl)c2)ccn1
InChIInChI=1S/C16H18ClN3O3/c1-22-8-7-19-16(21)14-10-12(5-6-18-14)20-11-3-4-15(23-2)13(17)9-11/h3-6,9-10H,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHDWZXUUFRYRVNM-UHFFFAOYSA-N
XLogP2.86
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.86
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

4-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214143
4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210465
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059
5-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184305
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109221380
4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221381
4-(3-fluoroanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205806
N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109202644
5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183935
4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221390

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 109205769) is 4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1cc(Nc2ccc(OC)c(Cl)c2)ccn1.
What is the InChIKey of 4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is HDWZXUUFRYRVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3/c1-22-8-7-19-16(21)14-10-12(5-6-18-14)20-11-3-4-15(23-2)13(17)9-11/h3-6,9-10H,7-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide?
4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109205769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).