2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile

C22H19N3 — CID 18133543

IUPAC2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile
SMILESCN(Cc1ccc2ccccc2c1)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C22H19N3/c1-24(14-17-9-10-18-6-2-3-7-19(18)12-17)15-20-16-25-11-5-4-8-22(25)21(20)13-23/h2-12,16H,14-15H2,1H3
InChIKeyLCQUGPHVRPGOHU-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.60
Rot. Bonds4

About 2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile

2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile (PubChem CID 18133543) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile.

Molecular Properties

Compound Name2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile
PubChem CID18133543
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile
SMILESCN(Cc1ccc2ccccc2c1)Cc1cn2ccccc2c1C#N
InChIInChI=1S/C22H19N3/c1-24(14-17-9-10-18-6-2-3-7-19(18)12-17)15-20-16-25-11-5-4-8-22(25)21(20)13-23/h2-12,16H,14-15H2,1H3
InChIKeyLCQUGPHVRPGOHU-UHFFFAOYSA-N
XLogP4.60
TPSA31.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile?
The IUPAC name of 2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile (CID 18133543) is 2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile.
What is the SMILES notation for 2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile?
The canonical SMILES for 2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile is CN(Cc1ccc2ccccc2c1)Cc1cn2ccccc2c1C#N.
What is the InChIKey of 2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile?
The InChIKey is LCQUGPHVRPGOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-24(14-17-9-10-18-6-2-3-7-19(18)12-17)15-20-16-25-11-5-4-8-22(25)21(20)13-23/h2-12,16H,14-15H2,1H3.
What are the key properties of 2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile?
2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile has a molecular weight of 325.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]indolizine-1-carbonitrile is sourced from PubChem (CID 18133543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).