6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide

C21H18ClN3O2 — CID 109099984

IUPAC6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C(=O)Nc3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C21H18ClN3O2/c1-13-11-14(2)19(16(22)12-13)25-21(27)18-10-6-9-17(24-18)20(26)23-15-7-4-3-5-8-15/h3-12H,1-2H3,(H,23,26)(H,25,27)
InChIKeyQTRBUQGIOKPVGW-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.86
Rot. Bonds4

About 6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide

6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide (PubChem CID 109099984) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
PubChem CID109099984
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C(=O)Nc3ccccc3)n2)c(Cl)c1
InChIInChI=1S/C21H18ClN3O2/c1-13-11-14(2)19(16(22)12-13)25-21(27)18-10-6-9-17(24-18)20(26)23-15-7-4-3-5-8-15/h3-12H,1-2H3,(H,23,26)(H,25,27)
InChIKeyQTRBUQGIOKPVGW-UHFFFAOYSA-N
XLogP4.86
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
1-(2-chloro-4,6-dimethylphenyl)-3-phenylurea
CID 731680
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
6-N-(2-chloro-4,6-dimethylphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096369
6-N-(2,6-dimethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100175
6-N-propan-2-yl-2-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109093718
6-[(2-chloro-6-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 66254491
N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
CID 7749916
1-(2-chloro-4,6-dimethylphenyl)-3-(3-methylphenyl)urea
CID 108888004
6-N,6-N-diethyl-2-N-(2,4,6-trimethylphenyl)pyridine-2,6-dicarboxamide
CID 109098988
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
1-(2-chloro-4,6-dimethylphenyl)-3-(3-hydroxyphenyl)urea
CID 108895874

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide (CID 109099984) is 6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide is Cc1cc(C)c(NC(=O)c2cccc(C(=O)Nc3ccccc3)n2)c(Cl)c1.
What is the InChIKey of 6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide?
The InChIKey is QTRBUQGIOKPVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13-11-14(2)19(16(22)12-13)25-21(27)18-10-6-9-17(24-18)20(26)23-15-7-4-3-5-8-15/h3-12H,1-2H3,(H,23,26)(H,25,27).
What are the key properties of 6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide?
6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chloro-4,6-dimethylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109099984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).