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

C17H20N4O — CID 122298426

IUPAC3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cnc(N3CCCCC3)nc2)c1
InChIInChI=1S/C17H20N4O/c1-13-6-5-7-14(10-13)16(22)20-15-11-18-17(19-12-15)21-8-3-2-4-9-21/h5-7,10-12H,2-4,8-9H2,1H3,(H,20,22)
InChIKeyUKANVZLJNHANNW-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.03
Rot. Bonds3

About 3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide

3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (PubChem CID 122298426) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
PubChem CID122298426
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cnc(N3CCCCC3)nc2)c1
InChIInChI=1S/C17H20N4O/c1-13-6-5-7-14(10-13)16(22)20-15-11-18-17(19-12-15)21-8-3-2-4-9-21/h5-7,10-12H,2-4,8-9H2,1H3,(H,20,22)
InChIKeyUKANVZLJNHANNW-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

3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075
3-nitro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298793
2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 122298592
N-(2,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108798
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298207
N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122298661
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(trifluoromethoxy)benzamide
CID 122298256
methyl 3-[[2-(azepan-1-yl)pyrimidine-5-carbonyl]amino]benzoate
CID 109265014

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide (CID 122298426) is 3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is Cc1cccc(C(=O)Nc2cnc(N3CCCCC3)nc2)c1.
What is the InChIKey of 3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
The InChIKey is UKANVZLJNHANNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-6-5-7-14(10-13)16(22)20-15-11-18-17(19-12-15)21-8-3-2-4-9-21/h5-7,10-12H,2-4,8-9H2,1H3,(H,20,22).
What are the key properties of 3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide?
3-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 3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 122298426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).