2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C19H24N2O2 — CID 68757324

IUPAC2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cccc2c(C3=CCN(C(=O)OCC(C)C)CC3)c[nH]c12
InChIInChI=1S/C19H24N2O2/c1-13(2)12-23-19(22)21-9-7-15(8-10-21)17-11-20-18-14(3)5-4-6-16(17)18/h4-7,11,13,20H,8-10,12H2,1-3H3
InChIKeyJPVUZWCHTFLUHJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.36
Rot. Bonds3

About 2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 68757324) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID68757324
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cccc2c(C3=CCN(C(=O)OCC(C)C)CC3)c[nH]c12
InChIInChI=1S/C19H24N2O2/c1-13(2)12-23-19(22)21-9-7-15(8-10-21)17-11-20-18-14(3)5-4-6-16(17)18/h4-7,11,13,20H,8-10,12H2,1-3H3
InChIKeyJPVUZWCHTFLUHJ-UHFFFAOYSA-N
XLogP4.36
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 68757324) is 2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1cccc2c(C3=CCN(C(=O)OCC(C)C)CC3)c[nH]c12.
What is the InChIKey of 2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is JPVUZWCHTFLUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)12-23-19(22)21-9-7-15(8-10-21)17-11-20-18-14(3)5-4-6-16(17)18/h4-7,11,13,20H,8-10,12H2,1-3H3.
What are the key properties of 2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 312.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-(7-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 68757324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).