5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide

C21H25N3O2 — CID 51500846

IUPAC5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)N(C)[C@H](C)Cc3ccccn3)c(C)c2c1
InChIInChI=1S/C21H25N3O2/c1-5-26-17-9-10-19-18(13-17)15(3)20(23-19)21(25)24(4)14(2)12-16-8-6-7-11-22-16/h6-11,13-14,23H,5,12H2,1-4H3/t14-/m1/s1
InChIKeyHTAVBFRPBPFTJD-CQSZACIVSA-N
MW351.45 g/mol
LogP3.97
Rot. Bonds6

About 5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide

5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 51500846) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide
PubChem CID51500846
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide
SMILESCCOc1ccc2[nH]c(C(=O)N(C)[C@H](C)Cc3ccccn3)c(C)c2c1
InChIInChI=1S/C21H25N3O2/c1-5-26-17-9-10-19-18(13-17)15(3)20(23-19)21(25)24(4)14(2)12-16-8-6-7-11-22-16/h6-11,13-14,23H,5,12H2,1-4H3/t14-/m1/s1
InChIKeyHTAVBFRPBPFTJD-CQSZACIVSA-N
XLogP3.97
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide (CID 51500846) is 5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide is CCOc1ccc2[nH]c(C(=O)N(C)[C@H](C)Cc3ccccn3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is HTAVBFRPBPFTJD-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-5-26-17-9-10-19-18(13-17)15(3)20(23-19)21(25)24(4)14(2)12-16-8-6-7-11-22-16/h6-11,13-14,23H,5,12H2,1-4H3/t14-/m1/s1.
What are the key properties of 5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide?
5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N,3-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 51500846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).