4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide

C20H19N3O — CID 113016330

IUPAC4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C20H19N3O/c1-14-3-7-16(8-4-14)20(24)23-18-11-12-19(21-13-18)22-17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,21,22)(H,23,24)
InChIKeyZOBSAHADQYBZIH-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.69
Rot. Bonds4

About 4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide

4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide (PubChem CID 113016330) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
PubChem CID113016330
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
SMILESCc1ccc(Nc2ccc(NC(=O)c3ccc(C)cc3)cn2)cc1
InChIInChI=1S/C20H19N3O/c1-14-3-7-16(8-4-14)20(24)23-18-11-12-19(21-13-18)22-17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,21,22)(H,23,24)
InChIKeyZOBSAHADQYBZIH-UHFFFAOYSA-N
XLogP4.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113021535
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluorobenzamide
CID 113020400
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
2-methoxy-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016337
N-[4-(diethylamino)phenyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162272

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide (CID 113016330) is 4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide is Cc1ccc(Nc2ccc(NC(=O)c3ccc(C)cc3)cn2)cc1.
What is the InChIKey of 4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide?
The InChIKey is ZOBSAHADQYBZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-14-3-7-16(8-4-14)20(24)23-18-11-12-19(21-13-18)22-17-9-5-15(2)6-10-17/h3-13H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide?
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide has a molecular weight of 317.39 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113016330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).