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

C26H23N5O2 — CID 108808442

IUPACN-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)nc(C)n3)c2)c1
InChIInChI=1S/C26H23N5O2/c1-17-27-24(19-8-4-3-5-9-19)16-25(28-17)30-21-11-6-10-20(14-21)26(33)31-23-13-7-12-22(15-23)29-18(2)32/h3-16H,1-2H3,(H,29,32)(H,31,33)(H,27,28,30)
InChIKeyUFDDEHHJIKRFSM-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.41
Rot. Bonds6

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

N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide (PubChem CID 108808442) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
PubChem CID108808442
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)nc(C)n3)c2)c1
InChIInChI=1S/C26H23N5O2/c1-17-27-24(19-8-4-3-5-9-19)16-25(28-17)30-21-11-6-10-20(14-21)26(33)31-23-13-7-12-22(15-23)29-18(2)32/h3-16H,1-2H3,(H,29,32)(H,31,33)(H,27,28,30)
InChIKeyUFDDEHHJIKRFSM-UHFFFAOYSA-N
XLogP5.41
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.41
H-Bond Donors ≤ 53
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-(4-methoxyphenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797139
N-(2-acetamidoethyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808500
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
CID 108808501
N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808430
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide
CID 108797255
N-(5-acetyl-2-chlorophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808483
N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]-4-propan-2-ylbenzamide
CID 108736802
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-(4-methoxy-3-nitrophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797296
4-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]butanoic acid
CID 108797173

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide (CID 108808442) is N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide is CC(=O)Nc1cccc(NC(=O)c2cccc(Nc3cc(-c4ccccc4)nc(C)n3)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
The InChIKey is UFDDEHHJIKRFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c1-17-27-24(19-8-4-3-5-9-19)16-25(28-17)30-21-11-6-10-20(14-21)26(33)31-23-13-7-12-22(15-23)29-18(2)32/h3-16H,1-2H3,(H,29,32)(H,31,33)(H,27,28,30).
What are the key properties of N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide?
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide has a molecular weight of 437.50 g/mol, XLogP of 5.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 108808442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).