2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid

C19H20N2O4 — CID 59314394

IUPAC2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCCOc1cccnc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C19H20N2O4/c1-2-10-25-15-8-5-9-20-16(15)17(22)21-19(18(23)24)11-13-6-3-4-7-14(13)12-19/h3-9H,2,10-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyVTWKERKWQLUOCD-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.22
Rot. Bonds6

About 2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid

2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59314394) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID59314394
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCCCOc1cccnc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C19H20N2O4/c1-2-10-25-15-8-5-9-20-16(15)17(22)21-19(18(23)24)11-13-6-3-4-7-14(13)12-19/h3-9H,2,10-12H2,1H3,(H,21,22)(H,23,24)
InChIKeyVTWKERKWQLUOCD-UHFFFAOYSA-N
XLogP2.22
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-aminopyridine-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 104742633
2-(3-methoxypropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 114992564
3-(2-butoxyethoxy)pyridine-2-carboxylic acid
CID 54958022
3-ethoxy-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 111747151
4-(isoquinoline-1-carbonylamino)oxane-4-carboxylic acid
CID 119068389
2-[[3-[3-(4-butylphenyl)-2-oxopropyl]-4-methoxybenzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 174782776
2-[[4-(1-hydroxyethyl)-3-[2-(3-methylphenyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076562
2-[(2-hexadecoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001704
2-[(2-docosoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001703
2-[(2-octadecoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001702
2-[[4-methoxy-3-[2-(3-methylcyclohexyl)ethoxy]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076784
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid (CID 59314394) is 2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid is CCCOc1cccnc1C(=O)NC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is VTWKERKWQLUOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-10-25-15-8-5-9-20-16(15)17(22)21-19(18(23)24)11-13-6-3-4-7-14(13)12-19/h3-9H,2,10-12H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid?
2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propoxypyridine-2-carbonyl)amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59314394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).