3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile

C14H19N3 — CID 62919578

IUPAC3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile
SMILESCC(C)CN(Cc1cccnc1C#N)C1CC1
InChIInChI=1S/C14H19N3/c1-11(2)9-17(13-5-6-13)10-12-4-3-7-16-14(12)8-15/h3-4,7,11,13H,5-6,9-10H2,1-2H3
InChIKeyORNDCSDLYGEHJQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.57
Rot. Bonds5

About 3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile

3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 62919578) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile
PubChem CID62919578
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile
SMILESCC(C)CN(Cc1cccnc1C#N)C1CC1
InChIInChI=1S/C14H19N3/c1-11(2)9-17(13-5-6-13)10-12-4-3-7-16-14(12)8-15/h3-4,7,11,13H,5-6,9-10H2,1-2H3
InChIKeyORNDCSDLYGEHJQ-UHFFFAOYSA-N
XLogP2.57
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile (CID 62919578) is 3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile is CC(C)CN(Cc1cccnc1C#N)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is ORNDCSDLYGEHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11(2)9-17(13-5-6-13)10-12-4-3-7-16-14(12)8-15/h3-4,7,11,13H,5-6,9-10H2,1-2H3.
What are the key properties of 3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile?
3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2-methylpropyl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62919578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).