5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide

C17H20ClN3O2 — CID 109238810

IUPAC5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C17H20ClN3O2/c1-4-21(5-2)17(22)12-8-14(11-19-10-12)20-15-9-13(18)6-7-16(15)23-3/h6-11,20H,4-5H2,1-3H3
InChIKeyJFMLCPHUJAQXEL-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.97
Rot. Bonds6

About 5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide

5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide (PubChem CID 109238810) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide
PubChem CID109238810
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C17H20ClN3O2/c1-4-21(5-2)17(22)12-8-14(11-19-10-12)20-15-9-13(18)6-7-16(15)23-3/h6-11,20H,4-5H2,1-3H3
InChIKeyJFMLCPHUJAQXEL-UHFFFAOYSA-N
XLogP3.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109238813
5-(5-chloro-2-methoxyanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235843
5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109245063
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615
5-N-(5-chloro-2-methoxyphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532269
5-(5-chloro-2-methoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245070
N-[2-(3-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109241150
N,N-diethyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109238819
N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244574
5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238786
3-N-(2,5-dichlorophenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106831
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide (CID 109238810) is 5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1cncc(Nc2cc(Cl)ccc2OC)c1.
What is the InChIKey of 5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide?
The InChIKey is JFMLCPHUJAQXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-4-21(5-2)17(22)12-8-14(11-19-10-12)20-15-9-13(18)6-7-16(15)23-3/h6-11,20H,4-5H2,1-3H3.
What are the key properties of 5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide?
5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyanilino)-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 109238810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).