N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide

C17H18N8O — CID 90544570

IUPACN-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H18N8O/c26-17(13-5-4-6-14(9-13)25-12-20-22-23-25)21-15-10-16(19-11-18-15)24-7-2-1-3-8-24/h4-6,9-12H,1-3,7-8H2,(H,18,19,21,26)
InChIKeyZTBXPSYPIZPPMK-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.69
Rot. Bonds4

About N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide

N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 90544570) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID90544570
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC NameN-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cc(N2CCCCC2)ncn1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H18N8O/c26-17(13-5-4-6-14(9-13)25-12-20-22-23-25)21-15-10-16(19-11-18-15)24-7-2-1-3-8-24/h4-6,9-12H,1-3,7-8H2,(H,18,19,21,26)
InChIKeyZTBXPSYPIZPPMK-UHFFFAOYSA-N
XLogP1.69
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122298661
3-nitro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544457
4-iodo-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544651
N-(6-piperidin-1-ylpyrimidin-4-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 90544561
N-(5-morpholin-4-yl-2-pyridinyl)-3-(tetrazol-1-yl)benzamide
CID 134053219
3-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545167
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
N-[2-[[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-(tetrazol-1-yl)benzamide
CID 122328399
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511
N-(6-piperidin-1-ylpyrimidin-4-yl)-4-sulfamoylbenzamide
CID 90544462
N-(6-piperidin-1-ylpyrimidin-4-yl)-6-pyrazol-1-ylpyridazine-3-carboxamide
CID 90544740

Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide (CID 90544570) is N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide is O=C(Nc1cc(N2CCCCC2)ncn1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is ZTBXPSYPIZPPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c26-17(13-5-4-6-14(9-13)25-12-20-22-23-25)21-15-10-16(19-11-18-15)24-7-2-1-3-8-24/h4-6,9-12H,1-3,7-8H2,(H,18,19,21,26).
What are the key properties of N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide?
N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide has a molecular weight of 350.39 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 90544570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).