N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide

C17H20N4O — CID 65389198

IUPACN-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
SMILESCC1CCCCN1c1cc(NC(=O)c2ccccc2)ncn1
InChIInChI=1S/C17H20N4O/c1-13-7-5-6-10-21(13)16-11-15(18-12-19-16)20-17(22)14-8-3-2-4-9-14/h2-4,8-9,11-13H,5-7,10H2,1H3,(H,18,19,20,22)
InChIKeyKQXWTLYSZJJTTJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.11
Rot. Bonds3

About N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide

N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 65389198) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID65389198
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
SMILESCC1CCCCN1c1cc(NC(=O)c2ccccc2)ncn1
InChIInChI=1S/C17H20N4O/c1-13-7-5-6-10-21(13)16-11-15(18-12-19-16)20-17(22)14-8-3-2-4-9-14/h2-4,8-9,11-13H,5-7,10H2,1H3,(H,18,19,20,22)
InChIKeyKQXWTLYSZJJTTJ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-2-methylpiperidin-1-yl]pyrimidine-4-carboxylic acid
CID 129353783
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511
4-chloro-6-(2-methylpiperidin-1-yl)pyrimidine
CID 53410093
6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 66520649
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172039

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide (CID 65389198) is N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide is CC1CCCCN1c1cc(NC(=O)c2ccccc2)ncn1.
What is the InChIKey of N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is KQXWTLYSZJJTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-13-7-5-6-10-21(13)16-11-15(18-12-19-16)20-17(22)14-8-3-2-4-9-14/h2-4,8-9,11-13H,5-7,10H2,1H3,(H,18,19,20,22).
What are the key properties of N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 65389198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).