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

C17H18N8O — CID 122298661

IUPACN-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H18N8O/c26-16(13-5-4-6-15(9-13)25-12-20-22-23-25)21-14-10-18-17(19-11-14)24-7-2-1-3-8-24/h4-6,9-12H,1-3,7-8H2,(H,21,26)
InChIKeyMNDYTCZWSBIDFX-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.69
Rot. Bonds4

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

N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide (PubChem CID 122298661) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
PubChem CID122298661
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC NameN-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H18N8O/c26-16(13-5-4-6-15(9-13)25-12-20-22-23-25)21-14-10-18-17(19-11-14)24-7-2-1-3-8-24/h4-6,9-12H,1-3,7-8H2,(H,21,26)
InChIKeyMNDYTCZWSBIDFX-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

N-(6-piperidin-1-ylpyrimidin-4-yl)-3-(tetrazol-1-yl)benzamide
CID 90544570
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
3-nitro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298793
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(tetrazol-1-yl)benzamide
CID 122303073
N-(5-morpholin-4-yl-2-pyridinyl)-3-(tetrazol-1-yl)benzamide
CID 134053219
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-3-(tetrazol-1-yl)benzamide
CID 122352474
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874
methyl 4-[[3-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 862155

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide (CID 122298661) is N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide is O=C(Nc1cnc(N2CCCCC2)nc1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide?
The InChIKey is MNDYTCZWSBIDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c26-16(13-5-4-6-15(9-13)25-12-20-22-23-25)21-14-10-18-17(19-11-14)24-7-2-1-3-8-24/h4-6,9-12H,1-3,7-8H2,(H,21,26).
What are the key properties of N-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide?
N-(2-piperidin-1-ylpyrimidin-5-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-(2-piperidin-1-ylpyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 122298661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).