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

C24H21N5O — CID 108797154

IUPAC3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1nc(Nc2cccc(C(=O)NCc3cccnc3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H21N5O/c1-17-27-22(19-8-3-2-4-9-19)14-23(28-17)29-21-11-5-10-20(13-21)24(30)26-16-18-7-6-12-25-15-18/h2-15H,16H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyQHKZHWSTPYHHRE-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.52
Rot. Bonds6

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

3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 108797154) 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-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID108797154
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1nc(Nc2cccc(C(=O)NCc3cccnc3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H21N5O/c1-17-27-22(19-8-3-2-4-9-19)14-23(28-17)29-21-11-5-10-20(13-21)24(30)26-16-18-7-6-12-25-15-18/h2-15H,16H2,1H3,(H,26,30)(H,27,28,29)
InChIKeyQHKZHWSTPYHHRE-UHFFFAOYSA-N
XLogP4.52
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808510
3-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767987
N-(2-acetamidoethyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808500
N-[(2-chlorophenyl)methyl]-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797150
4-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]butanoic acid
CID 108797173
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide
CID 108797255
2-[[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzoyl]amino]-3-phenylpropanoic acid
CID 108808375
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
N-(3-formamidopropyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797262
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442
N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
CID 108808501

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide (CID 108797154) is 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide is Cc1nc(Nc2cccc(C(=O)NCc3cccnc3)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is QHKZHWSTPYHHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-17-27-22(19-8-3-2-4-9-19)14-23(28-17)29-21-11-5-10-20(13-21)24(30)26-16-18-7-6-12-25-15-18/h2-15H,16H2,1H3,(H,26,30)(H,27,28,29).
What are the key properties of 3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide?
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 395.47 g/mol, XLogP of 4.52, 6 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-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 108797154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).