(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

C17H24N6O — CID 25280698

IUPAC(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)CCN1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H24N6O/c1-13(2)8-10-22-9-4-7-16(22)17(24)19-14-5-3-6-15(11-14)23-12-18-20-21-23/h3,5-6,11-13,16H,4,7-10H2,1-2H3,(H,19,24)/t16-/m0/s1
InChIKeyQKCOLDSEFPOTAK-INIZCTEOSA-N
MW328.42 g/mol
LogP2.11
Rot. Bonds6

About (2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 25280698) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID25280698
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)CCN1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H24N6O/c1-13(2)8-10-22-9-4-7-16(22)17(24)19-14-5-3-6-15(11-14)23-12-18-20-21-23/h3,5-6,11-13,16H,4,7-10H2,1-2H3,(H,19,24)/t16-/m0/s1
InChIKeyQKCOLDSEFPOTAK-INIZCTEOSA-N
XLogP2.11
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 26409028
1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45246019
(2S)-1-[(3-methylsulfanylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 26405231
1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
(2S)-1-(2-pyridin-3-yloxyacetyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 72862821
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 25371663
1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712
N-(4-methylpentan-2-yl)-3-(tetrazol-1-yl)aniline
CID 43683982
2-amino-N-[3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685776
4-methyl-N-[3-(tetrazol-1-yl)phenyl]piperidine-2-carboxamide
CID 114422985

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 25280698) is (2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is CC(C)CCN1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1.
What is the InChIKey of (2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is QKCOLDSEFPOTAK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13(2)8-10-22-9-4-7-16(22)17(24)19-14-5-3-6-15(11-14)23-12-18-20-21-23/h3,5-6,11-13,16H,4,7-10H2,1-2H3,(H,19,24)/t16-/m0/s1.
What are the key properties of (2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25280698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).