[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate

C17H16N2O3 — CID 9413832

IUPAC[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H16N2O3/c20-16(11-22-17(21)14-5-2-8-18-10-14)19-15-7-6-12-3-1-4-13(12)9-15/h2,5-10H,1,3-4,11H2,(H,19,20)
InChIKeyNHAVIIFBMXRLFB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.37
Rot. Bonds4

About [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 9413832) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate
PubChem CID9413832
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C17H16N2O3/c20-16(11-22-17(21)14-5-2-8-18-10-14)19-15-7-6-12-3-1-4-13(12)9-15/h2,5-10H,1,3-4,11H2,(H,19,20)
InChIKeyNHAVIIFBMXRLFB-UHFFFAOYSA-N
XLogP2.37
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methylbenzoate
CID 2640652
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylbenzoate
CID 7775505
[2-(3-bromoanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413271
[2-(4-methoxycarbonylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 1088627
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-pyrrol-1-ylbenzoate
CID 18276004
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 18081812
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2640532
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808222
[2-(4-ethoxyanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 649387
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pyridin-3-ylacetamide
CID 2506082
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 5180290
[2-(4-fluoroanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010553

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate?
The IUPAC name of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate (CID 9413832) is [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate.
What is the SMILES notation for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate?
The canonical SMILES for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate?
The InChIKey is NHAVIIFBMXRLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16(11-22-17(21)14-5-2-8-18-10-14)19-15-7-6-12-3-1-4-13(12)9-15/h2,5-10H,1,3-4,11H2,(H,19,20).
What are the key properties of [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate?
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 9413832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).