4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

C16H18N4O — CID 53014756

IUPAC4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2)cc1
InChIInChI=1S/C16H18N4O/c1-12-4-6-13(7-5-12)15(21)19-14-10-17-16(18-11-14)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,21)
InChIKeyXWLFVPQXRLAXFX-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.64
Rot. Bonds3

About 4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide

4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53014756) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53014756
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2)cc1
InChIInChI=1S/C16H18N4O/c1-12-4-6-13(7-5-12)15(21)19-14-10-17-16(18-11-14)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,21)
InChIKeyXWLFVPQXRLAXFX-UHFFFAOYSA-N
XLogP2.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-[2-(azepan-1-yl)pyrimidin-5-yl]-6-chloropyridine-3-carboxamide
CID 53164742
3,4-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164633
N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108527
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298612
N-(2-piperidin-1-ylpyrimidin-5-yl)-4-(trifluoromethoxy)benzamide
CID 122298622
N-(4-acetylphenyl)-2-(azepan-1-yl)pyrimidine-5-carboxamide
CID 109265010
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-(4-chlorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108537
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide (CID 53014756) is 4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is Cc1ccc(C(=O)Nc2cnc(N3CCCC3)nc2)cc1.
What is the InChIKey of 4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is XWLFVPQXRLAXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-4-6-13(7-5-12)15(21)19-14-10-17-16(18-11-14)20-8-2-3-9-20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,21).
What are the key properties of 4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide?
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 282.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53014756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).