(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide

C17H19N3O2 — CID 94024655

IUPAC(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCOc1ncccc1CNC(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C17H19N3O2/c1-12-10-13-6-3-4-8-15(13)20(12)17(21)19-11-14-7-5-9-18-16(14)22-2/h3-9,12H,10-11H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyWLCLEOHFAYPDIZ-LBPRGKRZSA-N
MW297.36 g/mol
LogP2.75
Rot. Bonds3

About (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide

(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide (PubChem CID 94024655) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
PubChem CID94024655
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
SMILESCOc1ncccc1CNC(=O)N1c2ccccc2C[C@@H]1C
InChIInChI=1S/C17H19N3O2/c1-12-10-13-6-3-4-8-15(13)20(12)17(21)19-11-14-7-5-9-18-16(14)22-2/h3-9,12H,10-11H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyWLCLEOHFAYPDIZ-LBPRGKRZSA-N
XLogP2.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydroindole-1-carboxamide
CID 136577432
N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108884531
N-[(3-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110301242
N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 60605582
N-[(2-methoxy-3-pyridinyl)methyl]-2,2,6-trimethylmorpholine-4-carboxamide
CID 48712863
N-(2-ethylphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108991479
N-(2,6-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108868023
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(pyridin-2-ylmethylamino)ethanone
CID 108999183
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 112974041
2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 108506767
2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide
CID 60551252

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide (CID 94024655) is (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide is COc1ncccc1CNC(=O)N1c2ccccc2C[C@@H]1C.
What is the InChIKey of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is WLCLEOHFAYPDIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-10-13-6-3-4-8-15(13)20(12)17(21)19-11-14-7-5-9-18-16(14)22-2/h3-9,12H,10-11H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide?
(2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 94024655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).