6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid

C18H19NO3 — CID 82100024

IUPAC6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid
SMILESCCCn1c(-c2ccc3c(c2)CCC3)ccc(C(=O)O)c1=O
InChIInChI=1S/C18H19NO3/c1-2-10-19-16(9-8-15(17(19)20)18(21)22)14-7-6-12-4-3-5-13(12)11-14/h6-9,11H,2-5,10H2,1H3,(H,21,22)
InChIKeyGJFOVFDANXOQQV-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.11
Rot. Bonds4

About 6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid

6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid (PubChem CID 82100024) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid
PubChem CID82100024
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid
SMILESCCCn1c(-c2ccc3c(c2)CCC3)ccc(C(=O)O)c1=O
InChIInChI=1S/C18H19NO3/c1-2-10-19-16(9-8-15(17(19)20)18(21)22)14-7-6-12-4-3-5-13(12)11-14/h6-9,11H,2-5,10H2,1H3,(H,21,22)
InChIKeyGJFOVFDANXOQQV-UHFFFAOYSA-N
XLogP3.11
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-dihydro-1H-inden-5-yl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82100029
6-(3-nitrophenyl)-2-oxo-1-propylpyridine-3-carboxylic acid
CID 82099816
6-(3,4-dimethylphenyl)-1-(2-hydroxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82099746
1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrole-2-carboxylic acid
CID 82088702
1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099726
6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519998
6-cyclopropyl-2-oxo-1-propylpyridine-3-carboxylic acid
CID 105477493
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
1-cyclopropyl-5-(2,3-dihydro-1H-inden-5-yl)pyrrole-2-carboxylic acid
CID 43671726
3-amino-1-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82466908
3-(hydroxymethyl)-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-2-one
CID 82519719

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid (CID 82100024) is 6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid is CCCn1c(-c2ccc3c(c2)CCC3)ccc(C(=O)O)c1=O.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid?
The InChIKey is GJFOVFDANXOQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-10-19-16(9-8-15(17(19)20)18(21)22)14-7-6-12-4-3-5-13(12)11-14/h6-9,11H,2-5,10H2,1H3,(H,21,22).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid?
6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-yl)-2-oxo-1-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 82100024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).