3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide

C24H21N5O — CID 108808501

IUPAC3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)nc(C)n3)c2)n1
InChIInChI=1S/C24H21N5O/c1-16-8-6-13-22(25-16)29-24(30)19-11-7-12-20(14-19)28-23-15-21(26-17(2)27-23)18-9-4-3-5-10-18/h3-15H,1-2H3,(H,25,29,30)(H,26,27,28)
InChIKeyFBACWNTWCISUIY-UHFFFAOYSA-N
MW395.47 g/mol
LogP5.15
Rot. Bonds5

About 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide

3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide (PubChem CID 108808501) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
PubChem CID108808501
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
SMILESCc1cccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)nc(C)n3)c2)n1
InChIInChI=1S/C24H21N5O/c1-16-8-6-13-22(25-16)29-24(30)19-11-7-12-20(14-19)28-23-15-21(26-17(2)27-23)18-9-4-3-5-10-18/h3-15H,1-2H3,(H,25,29,30)(H,26,27,28)
InChIKeyFBACWNTWCISUIY-UHFFFAOYSA-N
XLogP5.15
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.47
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide
CID 108797255
N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808430
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
N-(2,4-difluorophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808397
N-(2-acetamidoethyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808500
N-(5-acetyl-2-chlorophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808483
4-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]butanoic acid
CID 108797173
N-(1-adamantyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797289
2-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 108808375

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide (CID 108808501) is 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide is Cc1cccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)nc(C)n3)c2)n1.
What is the InChIKey of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide?
The InChIKey is FBACWNTWCISUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-16-8-6-13-22(25-16)29-24(30)19-11-7-12-20(14-19)28-23-15-21(26-17(2)27-23)18-9-4-3-5-10-18/h3-15H,1-2H3,(H,25,29,30)(H,26,27,28).
What are the key properties of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide?
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide has a molecular weight of 395.47 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 108808501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).