4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide

C21H20ClN3O3 — CID 109221419

IUPAC4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Nc2cc(Cl)ccc2OC)ccn1
InChIInChI=1S/C21H20ClN3O3/c1-13-4-6-19(27-2)16(10-13)25-21(26)18-12-15(8-9-23-18)24-17-11-14(22)5-7-20(17)28-3/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyWIJBHTIELBBSSM-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.06
Rot. Bonds6

About 4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide

4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide (PubChem CID 109221419) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
PubChem CID109221419
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc(Nc2cc(Cl)ccc2OC)ccn1
InChIInChI=1S/C21H20ClN3O3/c1-13-4-6-19(27-2)16(10-13)25-21(26)18-12-15(8-9-23-18)24-17-11-14(22)5-7-20(17)28-3/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyWIJBHTIELBBSSM-UHFFFAOYSA-N
XLogP5.06
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.86
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109219739
4-(2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109221903
4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221381
N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219162
N-(4-acetamidophenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109221888
4-(4-acetamidoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221861
4-(2-methoxy-5-methylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109201419
4-(4-acetylanilino)-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 109221402
4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109217002
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872
4-N-(4-chlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109092862
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109218487

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide (CID 109221419) is 4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc(Nc2cc(Cl)ccc2OC)ccn1.
What is the InChIKey of 4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The InChIKey is WIJBHTIELBBSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-4-6-19(27-2)16(10-13)25-21(26)18-12-15(8-9-23-18)24-17-11-14(22)5-7-20(17)28-3/h4-12H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109221419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).