1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide

C17H19N5O2 — CID 167780443

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1n[nH]nc1NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H19N5O2/c1-10-16(20-21-19-10)18-17(24)13-8-15(23)22(9-13)14-6-5-11-3-2-4-12(11)7-14/h5-7,13H,2-4,8-9H2,1H3,(H2,18,19,20,21,24)
InChIKeyPOKVUUQAIZPWGJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.59
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide

1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 167780443) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID167780443
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1n[nH]nc1NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C17H19N5O2/c1-10-16(20-21-19-10)18-17(24)13-8-15(23)22(9-13)14-6-5-11-3-2-4-12(11)7-14/h5-7,13H,2-4,8-9H2,1H3,(H2,18,19,20,21,24)
InChIKeyPOKVUUQAIZPWGJ-UHFFFAOYSA-N
XLogP1.59
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
1-(2,3-dihydro-1H-inden-5-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 71935936
(3S)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838721
(3R)-N'-(cyclopropanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbohydrazide
CID 51983166
1-(2,3-dihydro-1H-inden-5-yl)-N-methylsulfonyl-5-oxopyrrolidine-3-carboxamide
CID 146154255
1-(2,3-dihydro-1H-inden-5-yl)-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42953262
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylcyclopentyl)-5-oxopyrrolidine-3-carboxamide
CID 52529769
N-[4-acetamido-2-(trifluoromethyl)phenyl]-1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 43059825
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-oxopyrrolidine-3-carboxamide
CID 46581440
1-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethoxy-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 55678850
1-(2,3-dihydro-1H-inden-5-yl)-N-(3-fluoro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 146124051
(3R)-1-(2,3-dihydro-1H-inden-5-yl)-N-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94149551

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 167780443) is 1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide is Cc1n[nH]nc1NC(=O)C1CC(=O)N(c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is POKVUUQAIZPWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-16(20-21-19-10)18-17(24)13-8-15(23)22(9-13)14-6-5-11-3-2-4-12(11)7-14/h5-7,13H,2-4,8-9H2,1H3,(H2,18,19,20,21,24).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide?
1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-(5-methyl-2H-triazol-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167780443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).