2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

C17H20N4O — CID 53014761

IUPAC2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C17H20N4O/c1-13-7-3-4-8-15(13)16(22)20-14-11-18-17(19-12-14)21-9-5-2-6-10-21/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,20,22)
InChIKeyUCZALUUFQCKTAK-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.03
Rot. Bonds3

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

2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 53014761) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID53014761
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C17H20N4O/c1-13-7-3-4-8-15(13)16(22)20-14-11-18-17(19-12-14)21-9-5-2-6-10-21/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,20,22)
InChIKeyUCZALUUFQCKTAK-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967927
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
2-(azepan-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109264957
2-methyl-N-[2-(2,4,5-trimethylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301170
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967930
1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298482
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide
CID 122298631
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298612
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53164660

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (CID 53014761) is 2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is Cc1ccccc1C(=O)Nc1cnc(N2CCCCC2)nc1.
What is the InChIKey of 2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is UCZALUUFQCKTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-7-3-4-8-15(13)16(22)20-14-11-18-17(19-12-14)21-9-5-2-6-10-21/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,20,22).
What are the key properties of 2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53014761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).