3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide

C28H22N4O — CID 108797255

IUPAC3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide
SMILESCc1nc(Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C28H22N4O/c1-19-29-26(21-10-3-2-4-11-21)18-27(30-19)31-23-14-7-13-22(17-23)28(33)32-25-16-8-12-20-9-5-6-15-24(20)25/h2-18H,1H3,(H,32,33)(H,29,30,31)
InChIKeyYTNRAPJLKKDIQD-UHFFFAOYSA-N
MW430.51 g/mol
LogP6.60
Rot. Bonds5

About 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide

3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide (PubChem CID 108797255) has the molecular formula C28H22N4O and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide.

Molecular Properties

Compound Name3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide
PubChem CID108797255
Molecular FormulaC28H22N4O
Molecular Weight430.51 g/mol
Exact Mass430.18
IUPAC Name3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide
SMILESCc1nc(Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C28H22N4O/c1-19-29-26(21-10-3-2-4-11-21)18-27(30-19)31-23-14-7-13-22(17-23)28(33)32-25-16-8-12-20-9-5-6-15-24(20)25/h2-18H,1H3,(H,32,33)(H,29,30,31)
InChIKeyYTNRAPJLKKDIQD-UHFFFAOYSA-N
XLogP6.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808430
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-(6-methyl-2-pyridinyl)benzamide
CID 108808501
N-(2,4-difluorophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808397
N-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
4-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]butanoic acid
CID 108797173
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
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
N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808510
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-naphthalen-1-ylbenzamide?
The IUPAC name of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide (CID 108797255) is 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide.
What is the SMILES notation for 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide?
The canonical SMILES for 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide is Cc1nc(Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide?
The InChIKey is YTNRAPJLKKDIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O/c1-19-29-26(21-10-3-2-4-11-21)18-27(30-19)31-23-14-7-13-22(17-23)28(33)32-25-16-8-12-20-9-5-6-15-24(20)25/h2-18H,1H3,(H,32,33)(H,29,30,31).
What are the key properties of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide?
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide has a molecular weight of 430.51 g/mol, XLogP of 6.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 108797255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).