5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C21H20ClN3O3 — CID 109234433

IUPAC5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Nc3ccc(OC)c(Cl)c3)c2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-27-18-6-3-14(4-7-18)11-24-21(26)15-9-17(13-23-12-15)25-16-5-8-20(28-2)19(22)10-16/h3-10,12-13,25H,11H2,1-2H3,(H,24,26)
InChIKeyWGGVJBDWRJLFTJ-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.43
Rot. Bonds7

About 5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109234433) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID109234433
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(Nc3ccc(OC)c(Cl)c3)c2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-27-18-6-3-14(4-7-18)11-24-21(26)15-9-17(13-23-12-15)25-16-5-8-20(28-2)19(22)10-16/h3-10,12-13,25H,11H2,1-2H3,(H,24,26)
InChIKeyWGGVJBDWRJLFTJ-UHFFFAOYSA-N
XLogP4.43
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-4-methoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243447
5-[4-(dimethylamino)anilino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234453
5-(3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236460
5-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109245025
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109237914
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906
N-(4-acetylphenyl)-5-(3-chloro-4-methoxyanilino)pyridine-3-carboxamide
CID 109245028
5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109237922
5-(4-chloro-2,5-dimethoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235620
5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
N-[(4-chlorophenyl)methyl]-5-(4-ethoxyanilino)pyridine-3-carboxamide
CID 109234037
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 109234433) is 5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cncc(Nc3ccc(OC)c(Cl)c3)c2)cc1.
What is the InChIKey of 5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is WGGVJBDWRJLFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-18-6-3-14(4-7-18)11-24-21(26)15-9-17(13-23-12-15)25-16-5-8-20(28-2)19(22)10-16/h3-10,12-13,25H,11H2,1-2H3,(H,24,26).
What are the key properties of 5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methoxyanilino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109234433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).