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

C21H20ClN3O3 — CID 109221381

IUPAC4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3cc(C)ccc3OC)c2)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-13-4-6-20(28-3)17(10-13)25-21(26)18-12-15(8-9-23-18)24-14-5-7-19(27-2)16(22)11-14/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyAKKGUWTUIOGOCD-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.06
Rot. Bonds6

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

4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide (PubChem CID 109221381) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
PubChem CID109221381
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)Nc3cc(C)ccc3OC)c2)cc1Cl
InChIInChI=1S/C21H20ClN3O3/c1-13-4-6-20(28-3)17(10-13)25-21(26)18-12-15(8-9-23-18)24-14-5-7-19(27-2)16(22)11-14/h4-12H,1-3H3,(H,23,24)(H,25,26)
InChIKeyAKKGUWTUIOGOCD-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

4-(4-acetamidoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221861
N-(3-chloro-4-methoxyphenyl)-4-(4-methylanilino)pyridine-2-carboxamide
CID 109219289
N-(2-methoxy-5-methylphenyl)-4-(3-methylanilino)pyridine-2-carboxamide
CID 109219162
4-(5-chloro-2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221419
N-(2,4-dimethylphenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109219739
N-(4-acetamidophenyl)-4-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109221888
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
4-(tert-butylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109217002
4-(3-chloro-4-methoxyanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210465
4-(2-cyanoanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109221872
4-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109221380

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide (CID 109221381) is 4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide is COc1ccc(Nc2ccnc(C(=O)Nc3cc(C)ccc3OC)c2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
The InChIKey is AKKGUWTUIOGOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-4-6-20(28-3)17(10-13)25-21(26)18-12-15(8-9-23-18)24-14-5-7-19(27-2)16(22)11-14/h4-12H,1-3H3,(H,23,24)(H,25,26).
What are the key properties of 4-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide?
4-(3-chloro-4-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-(3-chloro-4-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109221381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).