methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate

C21H26N2O4 — CID 129187495

IUPACmethyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(C)cccc2c1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H26N2O4/c1-13-7-6-8-15-16(18(19(24)26-5)22-17(13)15)14-9-11-23(12-10-14)20(25)27-21(2,3)4/h6-9,22H,10-12H2,1-5H3
InChIKeyJPYRBXYYYAUYTM-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.29
Rot. Bonds2

About methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate

methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate (PubChem CID 129187495) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate
PubChem CID129187495
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Namemethyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2c(C)cccc2c1C1=CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H26N2O4/c1-13-7-6-8-15-16(18(19(24)26-5)22-17(13)15)14-9-11-23(12-10-14)20(25)27-21(2,3)4/h6-9,22H,10-12H2,1-5H3
InChIKeyJPYRBXYYYAUYTM-UHFFFAOYSA-N
XLogP4.29
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate with MolForge

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Related Compounds

methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1H-indole-2-carboxylate
CID 129187503
tert-butyl 4-(2-fluoro-4-methoxycarbonyl-6-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177300742
tert-butyl 4-[2-fluoro-6-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118483528
tert-butyl 4-(4-methyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139916466
tert-butyl 4-(2,3,4-trimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 158431338
tert-butyl 4-(4-fluoronaphthalen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 130377999
methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxylate
CID 67125893
tert-butyl 4-(3-phenylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 19705303
tert-butyl 4-(5-methoxycarbonylnaphthalen-1-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-methoxycarbonylnaphthalen-1-yl)piperidine-1-carboxylate;carbanide;palladium
CID 158707474
tert-butyl 4-(7-methoxycarbonyl-2-methyl-1-benzofuran-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 166173843
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310

Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate?
The IUPAC name of methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate (CID 129187495) is methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2c(C)cccc2c1C1=CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate?
The InChIKey is JPYRBXYYYAUYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13-7-6-8-15-16(18(19(24)26-5)22-17(13)15)14-9-11-23(12-10-14)20(25)27-21(2,3)4/h6-9,22H,10-12H2,1-5H3.
What are the key properties of methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate?
methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-2-carboxylate is sourced from PubChem (CID 129187495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).