2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid

C18H18N2O3 — CID 143201214

IUPAC2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid
SMILESCC(=O)Nc1ncccc1C1(C)Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C18H18N2O3/c1-11(21)20-16-15(4-3-7-19-16)18(2)9-13-6-5-12(17(22)23)8-14(13)10-18/h3-8H,9-10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyWHJYYQGPYWPWPD-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.79
Rot. Bonds3

About 2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid

2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid (PubChem CID 143201214) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid
PubChem CID143201214
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid
SMILESCC(=O)Nc1ncccc1C1(C)Cc2ccc(C(=O)O)cc2C1
InChIInChI=1S/C18H18N2O3/c1-11(21)20-16-15(4-3-7-19-16)18(2)9-13-6-5-12(17(22)23)8-14(13)10-18/h3-8H,9-10H2,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyWHJYYQGPYWPWPD-UHFFFAOYSA-N
XLogP2.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,2'-1,3-dihydroindene]-5'-carboxylic acid
CID 175212768
2-(2,3-dihydro-1H-indene-5-carbonylamino)pyridine-3-carboxylic acid
CID 63652531
6-fluoro-6-methyl-7,8-dihydro-5H-naphthalene-2-carboxylic acid
CID 84675953
3-oxo-2,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 135742200
1,1,2,2-tetramethyl-3H-indene-5-carboxylic acid
CID 67941852
ethane;quinoline-6-carboxylic acid
CID 91364452
1,1-dimethyl-3H-2-benzofuran-5-carboxylic acid
CID 59509474
potassium (5-carboxy-2-methanidyl-1,3-dihydroindene-2-carbonyl)azanide
CID 59027888
(6S)-2'-oxo-1'-pyridin-2-ylspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylic acid
CID 122616409
3-acetamidopyrazine-2-carboxylic acid
CID 10511603
3,4-diacetamidobenzoic acid
CID 2735923
3,3-dimethyl-2-[4-(pyridine-2-carbonylamino)phenyl]-2,4-dihydro-1H-quinoline-6-carboxylic acid
CID 58476233

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid?
The IUPAC name of 2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid (CID 143201214) is 2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid.
What is the SMILES notation for 2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid?
The canonical SMILES for 2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid is CC(=O)Nc1ncccc1C1(C)Cc2ccc(C(=O)O)cc2C1.
What is the InChIKey of 2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid?
The InChIKey is WHJYYQGPYWPWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(21)20-16-15(4-3-7-19-16)18(2)9-13-6-5-12(17(22)23)8-14(13)10-18/h3-8H,9-10H2,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid?
2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid has a molecular weight of 310.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamido-3-pyridinyl)-2-methyl-1,3-dihydroindene-5-carboxylic acid is sourced from PubChem (CID 143201214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).