4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

C28H23N5O — CID 164973560

IUPAC4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4ccccc34)c2)c1
InChIInChI=1S/C28H23N5O/c1-18-7-5-9-22(15-18)30-28(34)20-13-12-19(2)25(16-20)32-27-23-10-3-4-11-24(23)31-26(33-27)21-8-6-14-29-17-21/h3-17H,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyZVMVIKKFVHSPDE-UHFFFAOYSA-N
MW445.53 g/mol
LogP6.30
Rot. Bonds5

About 4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide

4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (PubChem CID 164973560) has the molecular formula C28H23N5O and a molecular weight of 445.53 g/mol. Its IUPAC name is 4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
PubChem CID164973560
Molecular FormulaC28H23N5O
Molecular Weight445.53 g/mol
Exact Mass445.19
IUPAC Name4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
SMILESCc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4ccccc34)c2)c1
InChIInChI=1S/C28H23N5O/c1-18-7-5-9-22(15-18)30-28(34)20-13-12-19(2)25(16-20)32-27-23-10-3-4-11-24(23)31-26(33-27)21-8-6-14-29-17-21/h3-17H,1-2H3,(H,30,34)(H,31,32,33)
InChIKeyZVMVIKKFVHSPDE-UHFFFAOYSA-N
XLogP6.30
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide
CID 164995255
N-(3-aminophenyl)-4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide
CID 146621414
N-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 16747334
2-[(6-chloro-2-pyridin-3-ylquinazolin-4-yl)amino]-N-phenylbenzamide
CID 71181011
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide
CID 23536120
3-[(3-bromo-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146621857
N-(5-bromo-2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine;hydrochloride
CID 90353056
N-(3,5-dichlorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 1387933
4-methyl-3-[(1-methyl-6-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16746953
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The IUPAC name of 4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide (CID 164973560) is 4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide.
What is the SMILES notation for 4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The canonical SMILES for 4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is Cc1cccc(NC(=O)c2ccc(C)c(Nc3nc(-c4cccnc4)nc4ccccc34)c2)c1.
What is the InChIKey of 4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
The InChIKey is ZVMVIKKFVHSPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O/c1-18-7-5-9-22(15-18)30-28(34)20-13-12-19(2)25(16-20)32-27-23-10-3-4-11-24(23)31-26(33-27)21-8-6-14-29-17-21/h3-17H,1-2H3,(H,30,34)(H,31,32,33).
What are the key properties of 4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide?
4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide has a molecular weight of 445.53 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-ylquinazolin-4-yl)amino]benzamide is sourced from PubChem (CID 164973560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).