3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile

C17H17N3 — CID 63513660

IUPAC3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC1Cc2ccccc2N(Cc2cccnc2C#N)C1
InChIInChI=1S/C17H17N3/c1-13-9-14-5-2-3-7-17(14)20(11-13)12-15-6-4-8-19-16(15)10-18/h2-8,13H,9,11-12H2,1H3
InChIKeyFKWHNRJYMRDAHD-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.15
Rot. Bonds2

About 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile

3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 63513660) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID63513660
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile
SMILESCC1Cc2ccccc2N(Cc2cccnc2C#N)C1
InChIInChI=1S/C17H17N3/c1-13-9-14-5-2-3-7-17(14)20(11-13)12-15-6-4-8-19-16(15)10-18/h2-8,13H,9,11-12H2,1H3
InChIKeyFKWHNRJYMRDAHD-UHFFFAOYSA-N
XLogP3.15
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile (CID 63513660) is 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile is CC1Cc2ccccc2N(Cc2cccnc2C#N)C1.
What is the InChIKey of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is FKWHNRJYMRDAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-9-14-5-2-3-7-17(14)20(11-13)12-15-6-4-8-19-16(15)10-18/h2-8,13H,9,11-12H2,1H3.
What are the key properties of 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile?
3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63513660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).