5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide

C20H18ClN3O3 — CID 109245063

IUPAC5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(Nc3cc(Cl)ccc3OC)c2)cc1
InChIInChI=1S/C20H18ClN3O3/c1-26-17-6-4-15(5-7-17)24-20(25)13-9-16(12-22-11-13)23-18-10-14(21)3-8-19(18)27-2/h3-12,23H,1-2H3,(H,24,25)
InChIKeyCLXSMUYYBUWNMA-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.75
Rot. Bonds6

About 5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide

5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109245063) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109245063
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(Nc3cc(Cl)ccc3OC)c2)cc1
InChIInChI=1S/C20H18ClN3O3/c1-26-17-6-4-15(5-7-17)24-20(25)13-9-16(12-22-11-13)23-18-10-14(21)3-8-19(18)27-2/h3-12,23H,1-2H3,(H,24,25)
InChIKeyCLXSMUYYBUWNMA-UHFFFAOYSA-N
XLogP4.75
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-5-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 109244574
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
5-(4-chloroanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 109244615
5-(5-chloro-2-methoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245070
5-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243458
5-(2-chloroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244426
N-(2,4-dichlorophenyl)-5-(4-methoxyanilino)pyridine-3-carboxamide
CID 109245369
5-(2,5-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109245203
N-(2-chlorophenyl)-5-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109244383
5-(2-fluoroanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109244174
5-N-(5-chloro-2-methoxyphenyl)-3-N-(4-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109108726
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-4-methoxybenzamide
CID 113033826

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 109245063) is 5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(Nc3cc(Cl)ccc3OC)c2)cc1.
What is the InChIKey of 5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is CLXSMUYYBUWNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-26-17-6-4-15(5-7-17)24-20(25)13-9-16(12-22-11-13)23-18-10-14(21)3-8-19(18)27-2/h3-12,23H,1-2H3,(H,24,25).
What are the key properties of 5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide?
5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109245063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).