6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide

C21H19N3O2 — CID 109100104

IUPAC6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)n2)c1
InChIInChI=1S/C21H19N3O2/c1-15-8-6-9-16(14-15)22-20(25)18-12-7-13-19(23-18)21(26)24(2)17-10-4-3-5-11-17/h3-14H,1-2H3,(H,22,25)
InChIKeyQRYPQJZOKYNHJX-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.92
Rot. Bonds4

About 6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide

6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide (PubChem CID 109100104) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
PubChem CID109100104
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)n2)c1
InChIInChI=1S/C21H19N3O2/c1-15-8-6-9-16(14-15)22-20(25)18-12-7-13-19(23-18)21(26)24(2)17-10-4-3-5-11-17/h3-14H,1-2H3,(H,22,25)
InChIKeyQRYPQJZOKYNHJX-UHFFFAOYSA-N
XLogP3.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
6-N-benzyl-6-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097681
6-N-methyl-2-N-(2-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100039
methyl 4-[[6-[methyl(phenyl)carbamoyl]pyridine-2-carbonyl]amino]benzoate
CID 109100281
N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334890
6-methyl-2-(N-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109334971
6-N-(2-fluorophenyl)-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100120
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
2-anilino-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313397
6-N-(3-methylphenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096463
3-methyl-N-[4-[[2-[3-[methyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840259
2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313600

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide?
The IUPAC name of 6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide (CID 109100104) is 6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide?
The canonical SMILES for 6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide is Cc1cccc(NC(=O)c2cccc(C(=O)N(C)c3ccccc3)n2)c1.
What is the InChIKey of 6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide?
The InChIKey is QRYPQJZOKYNHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15-8-6-9-16(14-15)22-20(25)18-12-7-13-19(23-18)21(26)24(2)17-10-4-3-5-11-17/h3-14H,1-2H3,(H,22,25).
What are the key properties of 6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide?
6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-(3-methylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109100104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).