(2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide

C22H21N3O3 — CID 56756996

IUPAC(2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C22H21N3O3/c1-27-19-10-4-5-11-20(19)28-22-16(8-6-12-23-22)14-24-21(26)18-13-15-7-2-3-9-17(15)25-18/h2-12,18,25H,13-14H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyLCIXMQANYVSROZ-SFHVURJKSA-N
MW375.43 g/mol
LogP3.54
Rot. Bonds6

About (2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 56756996) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID56756996
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCOc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C22H21N3O3/c1-27-19-10-4-5-11-20(19)28-22-16(8-6-12-23-22)14-24-21(26)18-13-15-7-2-3-9-17(15)25-18/h2-12,18,25H,13-14H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyLCIXMQANYVSROZ-SFHVURJKSA-N
XLogP3.54
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Related Compounds

(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 95191447
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309
(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61402453
(2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 25288592
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106896010
(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 95206608
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 42291642
(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 95208041
(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 56741172
(3R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 95193249
N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76895269
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 56756996) is (2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide is COc1ccccc1Oc1ncccc1CNC(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is LCIXMQANYVSROZ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-19-10-4-5-11-20(19)28-22-16(8-6-12-23-22)14-24-21(26)18-13-15-7-2-3-9-17(15)25-18/h2-12,18,25H,13-14H2,1H3,(H,24,26)/t18-/m0/s1.
What are the key properties of (2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 56756996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).