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

C20H18ClN3O2 — CID 109162131

IUPAC6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C20H18ClN3O2/c1-13-10-17(18(26-2)11-16(13)21)24-19-9-8-14(12-22-19)20(25)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,24)(H,23,25)
InChIKeyMLMAFDRZCPTEOL-UHFFFAOYSA-N
MW367.84 g/mol
LogP5.05
Rot. Bonds5

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

6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide (PubChem CID 109162131) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide
PubChem CID109162131
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C20H18ClN3O2/c1-13-10-17(18(26-2)11-16(13)21)24-19-9-8-14(12-22-19)20(25)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,24)(H,23,25)
InChIKeyMLMAFDRZCPTEOL-UHFFFAOYSA-N
XLogP5.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.84
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-anilino-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109162100
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109164004
6-(4-chloro-2-methoxy-5-methylanilino)-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 109163247
6-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152287
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163500
6-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158195
N-phenyl-6-(3,4,5-trimethoxyanilino)pyridine-3-carboxamide
CID 109162123
1-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113022483
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152976
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265367
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162350
ethyl N-[6-(4-chloro-2-methoxy-5-methylanilino)-3-pyridinyl]carbamate
CID 113022533

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide (CID 109162131) is 6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide is COc1cc(Cl)c(C)cc1Nc1ccc(C(=O)Nc2ccccc2)cn1.
What is the InChIKey of 6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide?
The InChIKey is MLMAFDRZCPTEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-13-10-17(18(26-2)11-16(13)21)24-19-9-8-14(12-22-19)20(25)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide?
6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109162131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).