(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

C20H22N6O — CID 26409028

IUPAC(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CN2CCC[C@@H]2C(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C20H22N6O/c1-15-7-9-16(10-8-15)13-25-11-3-6-19(25)20(27)22-17-4-2-5-18(12-17)26-14-21-23-24-26/h2,4-5,7-10,12,14,19H,3,6,11,13H2,1H3,(H,22,27)/t19-/m1/s1
InChIKeyAGZBWOGDGRZRBS-LJQANCHMSA-N
MW362.44 g/mol
LogP2.57
Rot. Bonds5

About (2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 26409028) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is (2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID26409028
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(CN2CCC[C@@H]2C(=O)Nc2cccc(-n3cnnn3)c2)cc1
InChIInChI=1S/C20H22N6O/c1-15-7-9-16(10-8-15)13-25-11-3-6-19(25)20(27)22-17-4-2-5-18(12-17)26-14-21-23-24-26/h2,4-5,7-10,12,14,19H,3,6,11,13H2,1H3,(H,22,27)/t19-/m1/s1
InChIKeyAGZBWOGDGRZRBS-LJQANCHMSA-N
XLogP2.57
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 25280698
methyl 4-[[(2R)-2-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidin-1-yl]methyl]benzoate
CID 25448202
1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
(2R)-1-[(4-fluorophenyl)methyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95786825
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45243408
(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42292661
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
2-amino-N-[3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685776

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 26409028) is (2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is Cc1ccc(CN2CCC[C@@H]2C(=O)Nc2cccc(-n3cnnn3)c2)cc1.
What is the InChIKey of (2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is AGZBWOGDGRZRBS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N6O/c1-15-7-9-16(10-8-15)13-25-11-3-6-19(25)20(27)22-17-4-2-5-18(12-17)26-14-21-23-24-26/h2,4-5,7-10,12,14,19H,3,6,11,13H2,1H3,(H,22,27)/t19-/m1/s1.
What are the key properties of (2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 26409028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).