N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide

C21H21N3O — CID 113017060

IUPACN-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3cc(C)cc(C)c3)nc2)cc1
InChIInChI=1S/C21H21N3O/c1-14-4-6-17(7-5-14)21(25)24-18-8-9-20(22-13-18)23-19-11-15(2)10-16(3)12-19/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyZNQVNUFNPIOZPW-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.00
Rot. Bonds4

About N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide

N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide (PubChem CID 113017060) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
PubChem CID113017060
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3cc(C)cc(C)c3)nc2)cc1
InChIInChI=1S/C21H21N3O/c1-14-4-6-17(7-5-14)21(25)24-18-8-9-20(22-13-18)23-19-11-15(2)10-16(3)12-19/h4-13H,1-3H3,(H,22,23)(H,24,25)
InChIKeyZNQVNUFNPIOZPW-UHFFFAOYSA-N
XLogP5.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-[6-(4-bromo-3-methylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113021535
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
methyl 4-[[6-(3,5-dimethylanilino)pyridine-3-carbonyl]amino]benzoate
CID 109162688
6-(4-acetylanilino)-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 109162705
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-pyridinyl]-4-methylbenzamide
CID 113021649
N-(3-acetamidophenyl)-6-(3,5-dimethylanilino)pyridine-3-carboxamide
CID 109162684
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
1-[6-(3,5-dimethylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113017108
N-(4-methylphenyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109162294

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide?
The IUPAC name of N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide (CID 113017060) is N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide.
What is the SMILES notation for N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide?
The canonical SMILES for N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Nc3cc(C)cc(C)c3)nc2)cc1.
What is the InChIKey of N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide?
The InChIKey is ZNQVNUFNPIOZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-4-6-17(7-5-14)21(25)24-18-8-9-20(22-13-18)23-19-11-15(2)10-16(3)12-19/h4-13H,1-3H3,(H,22,23)(H,24,25).
What are the key properties of N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide?
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide is sourced from PubChem (CID 113017060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).