3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide

C15H19N5O — CID 102778390

IUPAC3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3NCCC3C)c2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-9-6-7-16-13(9)15(21)18-12-5-3-4-11(8-12)14-17-10(2)19-20-14/h3-5,8-9,13,16H,6-7H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyPPTRBXNYBBQPJH-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.72
Rot. Bonds3

About 3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide

3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 102778390) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID102778390
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1nc(-c2cccc(NC(=O)C3NCCC3C)c2)n[nH]1
InChIInChI=1S/C15H19N5O/c1-9-6-7-16-13(9)15(21)18-12-5-3-4-11(8-12)14-17-10(2)19-20-14/h3-5,8-9,13,16H,6-7H2,1-2H3,(H,18,21)(H,17,19,20)
InChIKeyPPTRBXNYBBQPJH-UHFFFAOYSA-N
XLogP1.72
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60934454
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]cyclohex-3-ene-1-carboxamide
CID 131909357
N-(3-acetamidophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102777091
2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
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2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 131923841
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
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3-methyl-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 102778230
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 168520871
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 64525875
3,5-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2-oxazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide (CID 102778390) is 3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide is Cc1nc(-c2cccc(NC(=O)C3NCCC3C)c2)n[nH]1.
What is the InChIKey of 3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is PPTRBXNYBBQPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-6-7-16-13(9)15(21)18-12-5-3-4-11(8-12)14-17-10(2)19-20-14/h3-5,8-9,13,16H,6-7H2,1-2H3,(H,18,21)(H,17,19,20).
What are the key properties of 3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide?
3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 102778390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).