6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide

C20H18ClN3O — CID 109162356

IUPAC6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)N(C)c3ccccc3)cn2)cc1Cl
InChIInChI=1S/C20H18ClN3O/c1-14-8-10-16(12-18(14)21)23-19-11-9-15(13-22-19)20(25)24(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,23)
InChIKeyMMQVPBDJLYAFBJ-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.06
Rot. Bonds4

About 6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide

6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 109162356) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
PubChem CID109162356
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(Nc2ccc(C(=O)N(C)c3ccccc3)cn2)cc1Cl
InChIInChI=1S/C20H18ClN3O/c1-14-8-10-16(12-18(14)21)23-19-11-9-15(13-22-19)20(25)24(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,23)
InChIKeyMMQVPBDJLYAFBJ-UHFFFAOYSA-N
XLogP5.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162361
6-(4-bromoanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162360
N-methyl-N-phenyl-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162369
2-(3,4-dimethylanilino)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109265869
6-(3-chloro-4-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 109159507
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridine-3-carboxamide
CID 109156385
2-(3-chloro-4-methylanilino)pyrimidine-5-carboxylic acid
CID 82303474
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid
CID 107613303
2-(3-chloro-4-methoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176346
N-benzyl-6-(3-chloro-4-fluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109157624
5-(3-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290227

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide (CID 109162356) is 6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide is Cc1ccc(Nc2ccc(C(=O)N(C)c3ccccc3)cn2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is MMQVPBDJLYAFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-8-10-16(12-18(14)21)23-19-11-9-15(13-22-19)20(25)24(2)17-6-4-3-5-7-17/h3-13H,1-2H3,(H,22,23).
What are the key properties of 6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide?
6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109162356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).