methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate

C18H18N2O3 — CID 95762876

IUPACmethyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C)nc1C
InChIInChI=1S/C18H18N2O3/c1-11-8-9-14(12(2)19-11)17(21)20-15-7-5-4-6-13(15)10-16(20)18(22)23-3/h4-9,16H,10H2,1-3H3/t16-/m0/s1
InChIKeyFJSFEYMDSIPPBX-INIZCTEOSA-N
MW310.35 g/mol
LogP2.44
Rot. Bonds2

About methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate

methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate (PubChem CID 95762876) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
PubChem CID95762876
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C)nc1C
InChIInChI=1S/C18H18N2O3/c1-11-8-9-14(12(2)19-11)17(21)20-15-7-5-4-6-13(15)10-16(20)18(22)23-3/h4-9,16H,10H2,1-3H3/t16-/m0/s1
InChIKeyFJSFEYMDSIPPBX-INIZCTEOSA-N
XLogP2.44
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(4-methoxycarbonylbenzoyl)-2,3-dihydroindole-2-carboxylate
CID 95593895
1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783
methyl (2S)-1-(1-phenylpyrazole-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95345888
methyl (2R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95305525
methyl (2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylate;hydrate
CID 86585807
methyl (2S)-1-[2-(2-methylbenzimidazol-1-yl)acetyl]-2,3-dihydroindole-2-carboxylate
CID 95161925
methyl 1-[1-(2-methylpropyl)pyrazole-4-carbonyl]-2,3-dihydroindole-2-carboxylate
CID 86786576
methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate
CID 56548142
1-(1,3-dimethylpyrazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 103847276
(2,6-dimethyl-3-pyridinyl)-(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 71987114
(2,6-dimethyl-3-pyridinyl)-[(3S)-3-pyrazol-1-yl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 95898778
methyl (2R)-1-[2-(4-bromophenoxy)acetyl]-2,3-dihydroindole-2-carboxylate
CID 52504702

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate (CID 95762876) is methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate is COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C)nc1C.
What is the InChIKey of methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate?
The InChIKey is FJSFEYMDSIPPBX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-8-9-14(12(2)19-11)17(21)20-15-7-5-4-6-13(15)10-16(20)18(22)23-3/h4-9,16H,10H2,1-3H3/t16-/m0/s1.
What are the key properties of methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate?
methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 95762876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).