2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

C22H26N2O3 — CID 119133858

IUPAC2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccnc1C(NC(=O)CC1(C(=O)O)Cc2ccccc2C1)C(C)C
InChIInChI=1S/C22H26N2O3/c1-14(2)19(20-15(3)7-6-10-23-20)24-18(25)13-22(21(26)27)11-16-8-4-5-9-17(16)12-22/h4-10,14,19H,11-13H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyCSNXBFHWLSQZOM-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.46
Rot. Bonds6

About 2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid

2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 119133858) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
PubChem CID119133858
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
SMILESCc1cccnc1C(NC(=O)CC1(C(=O)O)Cc2ccccc2C1)C(C)C
InChIInChI=1S/C22H26N2O3/c1-14(2)19(20-15(3)7-6-10-23-20)24-18(25)13-22(21(26)27)11-16-8-4-5-9-17(16)12-22/h4-10,14,19H,11-13H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyCSNXBFHWLSQZOM-UHFFFAOYSA-N
XLogP3.46
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid (CID 119133858) is 2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is Cc1cccnc1C(NC(=O)CC1(C(=O)O)Cc2ccccc2C1)C(C)C.
What is the InChIKey of 2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is CSNXBFHWLSQZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-14(2)19(20-15(3)7-6-10-23-20)24-18(25)13-22(21(26)27)11-16-8-4-5-9-17(16)12-22/h4-10,14,19H,11-13H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid?
2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-methyl-1-(3-methyl-2-pyridinyl)propyl]amino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 119133858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).