(2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

C15H17N5O2 — CID 97079995

IUPAC(2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCc2ccccc2Cn2cncn2)N1
InChIInChI=1S/C15H17N5O2/c21-14-6-5-13(19-14)15(22)17-7-11-3-1-2-4-12(11)8-20-10-16-9-18-20/h1-4,9-10,13H,5-8H2,(H,17,22)(H,19,21)/t13-/m1/s1
InChIKeyCLULZMNOHUFAJK-CYBMUJFWSA-N
MW299.33 g/mol
LogP0.22
Rot. Bonds5

About (2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide

(2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 97079995) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID97079995
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)NCc2ccccc2Cn2cncn2)N1
InChIInChI=1S/C15H17N5O2/c21-14-6-5-13(19-14)15(22)17-7-11-3-1-2-4-12(11)8-20-10-16-9-18-20/h1-4,9-10,13H,5-8H2,(H,17,22)(H,19,21)/t13-/m1/s1
InChIKeyCLULZMNOHUFAJK-CYBMUJFWSA-N
XLogP0.22
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119846737
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846811
cis-(1S,2R)-2-phenyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 95169645
2-(cyclopropylmethylamino)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119846776
3-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119846731
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110475894
1-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 35669769
(2S,6S)-2,6-dimethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 35669651
(3S)-5-oxo-1-(pyridin-2-ylmethyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 94150434
1-(5-chloro-2-methoxybenzoyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55624520
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215

Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 97079995) is (2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)NCc2ccccc2Cn2cncn2)N1.
What is the InChIKey of (2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is CLULZMNOHUFAJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-14-6-5-13(19-14)15(22)17-7-11-3-1-2-4-12(11)8-20-10-16-9-18-20/h1-4,9-10,13H,5-8H2,(H,17,22)(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide?
(2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97079995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).