1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide

C16H19N5O2 — CID 138009885

IUPAC1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C)(C(=O)Nc2cn(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H19N5O2/c1-12(22)20-9-8-16(2,11-20)15(23)17-14-10-21(19-18-14)13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,17,23)
InChIKeyVXNCNPNMILHUHG-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.46
Rot. Bonds3

About 1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide

1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 138009885) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID138009885
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC(=O)N1CCC(C)(C(=O)Nc2cn(-c3ccccc3)nn2)C1
InChIInChI=1S/C16H19N5O2/c1-12(22)20-9-8-16(2,11-20)15(23)17-14-10-21(19-18-14)13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,17,23)
InChIKeyVXNCNPNMILHUHG-UHFFFAOYSA-N
XLogP1.46
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-(1-phenyltriazol-4-yl)cyclopropane-1-carboxamide
CID 138049585
(3R)-1-[1-(4-fluorophenyl)triazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 129415168
N-[1-(3-methoxyphenyl)triazol-4-yl]-3-methyl-6-oxopiperidine-3-carboxamide
CID 126841745
3-methyl-1-[(4-pyrazol-1-ylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075319
(3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 97324717
1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 75460001
(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
3-methyl-1-[1-(3-nitrophenyl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 119256204
2-(oxan-3-yl)-N-(1-phenyltriazol-4-yl)acetamide
CID 138049586
2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 106317951
4-[methyl(prop-2-enoyl)amino]-N-(1-phenyltriazol-4-yl)benzamide
CID 166413727
N-(1-phenyltriazol-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 167874848

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide (CID 138009885) is 1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide is CC(=O)N1CCC(C)(C(=O)Nc2cn(-c3ccccc3)nn2)C1.
What is the InChIKey of 1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is VXNCNPNMILHUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-12(22)20-9-8-16(2,11-20)15(23)17-14-10-21(19-18-14)13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,17,23).
What are the key properties of 1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide?
1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-methyl-N-(1-phenyltriazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 138009885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).