1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide

C17H19Cl2N5O2 — CID 97018995

IUPAC1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)N[C@@H]2CC(=O)N(C)C2)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N5O2/c1-9(2)16-21-15(17(26)20-10-7-13(25)23(3)8-10)22-24(16)14-11(18)5-4-6-12(14)19/h4-6,9-10H,7-8H2,1-3H3,(H,20,26)/t10-/m1/s1
InChIKeyILWZDTPOIYTRDV-SNVBAGLBSA-N
MW396.28 g/mol
LogP2.66
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide

1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 97018995) has the molecular formula C17H19Cl2N5O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID97018995
Molecular FormulaC17H19Cl2N5O2
Molecular Weight396.28 g/mol
Exact Mass395.09
IUPAC Name1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)N[C@@H]2CC(=O)N(C)C2)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C17H19Cl2N5O2/c1-9(2)16-21-15(17(26)20-10-7-13(25)23(3)8-10)22-24(16)14-11(18)5-4-6-12(14)19/h4-6,9-10H,7-8H2,1-3H3,(H,20,26)/t10-/m1/s1
InChIKeyILWZDTPOIYTRDV-SNVBAGLBSA-N
XLogP2.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488771
2-chloro-6-fluoro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736524
propan-2-yl 2-[[1-(2,6-dichlorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carbonyl]amino]acetate
CID 86892014
3,4-dichloro-N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736500
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
6-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 45237342
6-chloro-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 28823587
4-bromo-2-chloro-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]benzamide
CID 95287363
N-(1-methyl-5-oxopyrrolidin-3-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 110745997
4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 119184714
1-(2-chlorophenyl)-N-(2-methylpiperidin-3-yl)-5-propan-2-yl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120573415
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-phenylbenzamide
CID 110736530

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide (CID 97018995) is 1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide is CC(C)c1nc(C(=O)N[C@@H]2CC(=O)N(C)C2)nn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is ILWZDTPOIYTRDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19Cl2N5O2/c1-9(2)16-21-15(17(26)20-10-7-13(25)23(3)8-10)22-24(16)14-11(18)5-4-6-12(14)19/h4-6,9-10H,7-8H2,1-3H3,(H,20,26)/t10-/m1/s1.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide?
1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 396.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-5-propan-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 97018995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).