6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

C21H20ClN3O3 — CID 109164004

IUPAC6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(Nc3cc(C)c(Cl)cc3OC)nc2)c1
InChIInChI=1S/C21H20ClN3O3/c1-13-9-18(19(28-3)11-17(13)22)25-20-8-7-14(12-23-20)21(26)24-15-5-4-6-16(10-15)27-2/h4-12H,1-3H3,(H,23,25)(H,24,26)
InChIKeySHWPALNCGLCTNJ-UHFFFAOYSA-N
MW397.86 g/mol
LogP5.06
Rot. Bonds6

About 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide

6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109164004) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109164004
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(Nc3cc(C)c(Cl)cc3OC)nc2)c1
InChIInChI=1S/C21H20ClN3O3/c1-13-9-18(19(28-3)11-17(13)22)25-20-8-7-14(12-23-20)21(26)24-15-5-4-6-16(10-15)27-2/h4-12H,1-3H3,(H,23,25)(H,24,26)
InChIKeySHWPALNCGLCTNJ-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

6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109162131
6-anilino-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109162100
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163247
methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163985
6-(3,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163977
N-(3-methoxyphenyl)-6-(2,4,6-trimethylanilino)pyridine-3-carboxamide
CID 109163087
N-(3-acetylphenyl)-6-(2,5-dimethoxyanilino)pyridine-3-carboxamide
CID 109164310
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158195
6-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109163992
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269147

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide (CID 109164004) is 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is COc1cccc(NC(=O)c2ccc(Nc3cc(C)c(Cl)cc3OC)nc2)c1.
What is the InChIKey of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is SHWPALNCGLCTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-13-9-18(19(28-3)11-17(13)22)25-20-8-7-14(12-23-20)21(26)24-15-5-4-6-16(10-15)27-2/h4-12H,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide?
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-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 6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109164004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).