ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate

C19H22N2O3 — CID 151120168

IUPACethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(-c3ccc(OC(C)C)nc3)ccc2N1
InChIInChI=1S/C19H22N2O3/c1-4-23-19(22)17-10-15-9-13(5-7-16(15)21-17)14-6-8-18(20-11-14)24-12(2)3/h5-9,11-12,17,21H,4,10H2,1-3H3
InChIKeyMRZYSZXYZLYWEA-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.44
Rot. Bonds5

About ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate

ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate (PubChem CID 151120168) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate
PubChem CID151120168
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Nameethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate
SMILESCCOC(=O)C1Cc2cc(-c3ccc(OC(C)C)nc3)ccc2N1
InChIInChI=1S/C19H22N2O3/c1-4-23-19(22)17-10-15-9-13(5-7-16(15)21-17)14-6-8-18(20-11-14)24-12(2)3/h5-9,11-12,17,21H,4,10H2,1-3H3
InChIKeyMRZYSZXYZLYWEA-UHFFFAOYSA-N
XLogP3.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate (CID 151120168) is ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate is CCOC(=O)C1Cc2cc(-c3ccc(OC(C)C)nc3)ccc2N1.
What is the InChIKey of ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate?
The InChIKey is MRZYSZXYZLYWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-23-19(22)17-10-15-9-13(5-7-16(15)21-17)14-6-8-18(20-11-14)24-12(2)3/h5-9,11-12,17,21H,4,10H2,1-3H3.
What are the key properties of ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate?
ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate has a molecular weight of 326.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(6-propan-2-yloxy-3-pyridinyl)-2,3-dihydro-1H-indole-2-carboxylate is sourced from PubChem (CID 151120168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).