(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide

C20H22N6O — CID 94164440

IUPAC(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C20H22N6O/c1-14-7-3-4-10-18(14)19-11-6-12-25(19)20(27)21-16-8-5-9-17(13-16)26-15(2)22-23-24-26/h3-5,7-10,13,19H,6,11-12H2,1-2H3,(H,21,27)/t19-/m0/s1
InChIKeyULISTQIZRXOEGV-IBGZPJMESA-N
MW362.44 g/mol
LogP3.65
Rot. Bonds3

About (2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide

(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 94164440) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is (2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID94164440
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(-n2nnnc2C)c1
InChIInChI=1S/C20H22N6O/c1-14-7-3-4-10-18(14)19-11-6-12-25(19)20(27)21-16-8-5-9-17(13-16)26-15(2)22-23-24-26/h3-5,7-10,13,19H,6,11-12H2,1-2H3,(H,21,27)/t19-/m0/s1
InChIKeyULISTQIZRXOEGV-IBGZPJMESA-N
XLogP3.65
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
N-[3-(imidazol-1-ylmethyl)phenyl]-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 47050883
4-[hydroxy(phenyl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 55697965
4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672862
2-hydroxy-N-[3-(5-methyltetrazol-1-yl)phenyl]-2-phenylacetamide
CID 111432358
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 136523571
2-(2-methylphenyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrolidine-1-carboxamide
CID 55833259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide (CID 94164440) is (2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide is Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cccc(-n2nnnc2C)c1.
What is the InChIKey of (2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is ULISTQIZRXOEGV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N6O/c1-14-7-3-4-10-18(14)19-11-6-12-25(19)20(27)21-16-8-5-9-17(13-16)26-15(2)22-23-24-26/h3-5,7-10,13,19H,6,11-12H2,1-2H3,(H,21,27)/t19-/m0/s1.
What are the key properties of (2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide?
(2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94164440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).