N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide

C21H22N4O — CID 46331360

IUPACN-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
SMILESCC(C)CNC(=O)c1cccc(Nc2ccnc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H22N4O/c1-15(2)14-23-21(26)17-9-6-10-18(13-17)24-19-11-12-22-20(25-19)16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyGDFICQIUUSDAMF-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.27
Rot. Bonds6

About N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide

N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide (PubChem CID 46331360) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
PubChem CID46331360
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
SMILESCC(C)CNC(=O)c1cccc(Nc2ccnc(-c3ccccc3)n2)c1
InChIInChI=1S/C21H22N4O/c1-15(2)14-23-21(26)17-9-6-10-18(13-17)24-19-11-12-22-20(25-19)16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyGDFICQIUUSDAMF-UHFFFAOYSA-N
XLogP4.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methylpropyl)benzamide
CID 46331137
3-[(2-phenylpyrimidin-4-yl)amino]-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 46331407
N-[2-[benzyl(ethyl)amino]ethyl]-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331386
N-benzyl-3-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331347
N-[(4-fluorophenyl)methyl]-3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46331192
N-(3,4-dimethoxyphenyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide
CID 46331382
1-[3-(4-anilinopyrimidin-2-yl)phenyl]ethanone
CID 117089370
ethyl 3-[(2-pyridin-4-ylpyrimidin-4-yl)amino]benzoate
CID 90353046
N-[(4-methoxyphenyl)methyl]-3-[[2-(3-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331135
N-(3-chlorophenyl)-3-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46331241
3-[(2-phenylpyrimidin-4-yl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46331385
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 46331193

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide (CID 46331360) is N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide is CC(C)CNC(=O)c1cccc(Nc2ccnc(-c3ccccc3)n2)c1.
What is the InChIKey of N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide?
The InChIKey is GDFICQIUUSDAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(2)14-23-21(26)17-9-6-10-18(13-17)24-19-11-12-22-20(25-19)16-7-4-3-5-8-16/h3-13,15H,14H2,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide?
N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide has a molecular weight of 346.43 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-[(2-phenylpyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 46331360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).