2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid

C21H20N4O5 — CID 139412690

IUPAC2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccc(=O)n(CC(=O)O)c2)no1
InChIInChI=1S/C21H20N4O5/c1-2-17-23-20(24-30-17)13-3-6-15-12(9-13)4-7-16(15)22-21(29)14-5-8-18(26)25(10-14)11-19(27)28/h3,5-6,8-10,16H,2,4,7,11H2,1H3,(H,22,29)(H,27,28)/t16-/m1/s1
InChIKeyUWNLRUACLUMFPF-MRXNPFEDSA-N
MW408.41 g/mol
LogP1.96
Rot. Bonds6

About 2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid

2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 139412690) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid
PubChem CID139412690
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccc(=O)n(CC(=O)O)c2)no1
InChIInChI=1S/C21H20N4O5/c1-2-17-23-20(24-30-17)13-3-6-15-12(9-13)4-7-16(15)22-21(29)14-5-8-18(26)25(10-14)11-19(27)28/h3,5-6,8-10,16H,2,4,7,11H2,1H3,(H,22,29)(H,27,28)/t16-/m1/s1
InChIKeyUWNLRUACLUMFPF-MRXNPFEDSA-N
XLogP1.96
TPSA127.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
CID 139413045
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
CID 139413050
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1H-pyrazole-4-carboxamide
CID 139330786
1-ethenyl-N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]pyrazole-4-carboxamide
CID 139412721
methyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 139424965
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3-oxazole-2-carboxamide
CID 139412539
N-[6-(5-ethyl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpyrazole-4-carboxamide
CID 139330986
2,2,2-trideuterio-N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412727
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2-oxo-3H-1,3-oxazole-5-carboxamide
CID 139412846
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylimidazole-4-carboxamide
CID 139412346
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 139413093
phenyl N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
CID 177230123

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid (CID 139412690) is 2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid is CCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccc(=O)n(CC(=O)O)c2)no1.
What is the InChIKey of 2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is UWNLRUACLUMFPF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-2-17-23-20(24-30-17)13-3-6-15-12(9-13)4-7-16(15)22-21(29)14-5-8-18(26)25(10-14)11-19(27)28/h3,5-6,8-10,16H,2,4,7,11H2,1H3,(H,22,29)(H,27,28)/t16-/m1/s1.
What are the key properties of 2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 408.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamoyl]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 139412690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).