N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide

C13H16N6O — CID 119551937

IUPACN-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide
SMILESCN(C(=O)c1cccc(-n2cnnn2)c1)C1CCNC1
InChIInChI=1S/C13H16N6O/c1-18(12-5-6-14-8-12)13(20)10-3-2-4-11(7-10)19-9-15-16-17-19/h2-4,7,9,12,14H,5-6,8H2,1H3
InChIKeySYGZBABOFLHRPV-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.10
Rot. Bonds3

About N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide

N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide (PubChem CID 119551937) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide
PubChem CID119551937
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide
SMILESCN(C(=O)c1cccc(-n2cnnn2)c1)C1CCNC1
InChIInChI=1S/C13H16N6O/c1-18(12-5-6-14-8-12)13(20)10-3-2-4-11(7-10)19-9-15-16-17-19/h2-4,7,9,12,14H,5-6,8H2,1H3
InChIKeySYGZBABOFLHRPV-UHFFFAOYSA-N
XLogP0.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-(azetidin-3-yl)-N-methyl-4-(tetrazol-1-yl)benzamide
CID 66188486
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
CID 119554751
1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119552240
N-methyl-N-pyrrolidin-3-ylquinoline-6-carboxamide
CID 55172573
N,3-dimethyl-N-piperidin-3-ylbenzamide
CID 60807215
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119552733
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 104974741
N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119551120
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide (CID 119551937) is N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide is CN(C(=O)c1cccc(-n2cnnn2)c1)C1CCNC1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide?
The InChIKey is SYGZBABOFLHRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-18(12-5-6-14-8-12)13(20)10-3-2-4-11(7-10)19-9-15-16-17-19/h2-4,7,9,12,14H,5-6,8H2,1H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide?
N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide has a molecular weight of 272.31 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 119551937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).