5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide

C22H22ClN3O2 — CID 109234876

IUPAC5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1cncc(C(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C22H22ClN3O2/c1-3-26(15-16-7-5-4-6-8-16)19-11-17(13-24-14-19)22(27)25-20-12-18(23)9-10-21(20)28-2/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyUDXATNQABKQJKQ-UHFFFAOYSA-N
MW395.89 g/mol
LogP5.02
Rot. Bonds7

About 5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide

5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109234876) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109234876
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1cncc(C(=O)Nc2cc(Cl)ccc2OC)c1
InChIInChI=1S/C22H22ClN3O2/c1-3-26(15-16-7-5-4-6-8-16)19-11-17(13-24-14-19)22(27)25-20-12-18(23)9-10-21(20)28-2/h4-14H,3,15H2,1-2H3,(H,25,27)
InChIKeyUDXATNQABKQJKQ-UHFFFAOYSA-N
XLogP5.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(ethyl)amino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109234877
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109258488
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
methyl 3-[[5-[benzyl(ethyl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109234896
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 109234873
N-(2,5-dimethoxyphenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243638
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109258482
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyridine-3-carboxamide
CID 109233790
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
5-N-tert-butyl-3-N-(5-chloro-2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109106946
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615
5-[benzyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 109233239

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide (CID 109234876) is 5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide is CCN(Cc1ccccc1)c1cncc(C(=O)Nc2cc(Cl)ccc2OC)c1.
What is the InChIKey of 5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is UDXATNQABKQJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-3-26(15-16-7-5-4-6-8-16)19-11-17(13-24-14-19)22(27)25-20-12-18(23)9-10-21(20)28-2/h4-14H,3,15H2,1-2H3,(H,25,27).
What are the key properties of 5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide?
5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109234876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).