3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile

C13H18N4 — CID 114287570

IUPAC3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
SMILESCN1CCC(CN(C)c2cnccc2C#N)C1
InChIInChI=1S/C13H18N4/c1-16-6-4-11(9-16)10-17(2)13-8-15-5-3-12(13)7-14/h3,5,8,11H,4,6,9-10H2,1-2H3
InChIKeyIFQNLYBQQLLCCT-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.34
Rot. Bonds3

About 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile

3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile (PubChem CID 114287570) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
PubChem CID114287570
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
SMILESCN1CCC(CN(C)c2cnccc2C#N)C1
InChIInChI=1S/C13H18N4/c1-16-6-4-11(9-16)10-17(2)13-8-15-5-3-12(13)7-14/h3,5,8,11H,4,6,9-10H2,1-2H3
InChIKeyIFQNLYBQQLLCCT-UHFFFAOYSA-N
XLogP1.34
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63274069
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3,4-diamine
CID 63275542
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707
5-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63273515
2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
CID 63234456
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 63274025
4-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzonitrile
CID 55173458
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(trifluoromethyl)benzonitrile
CID 63274111
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 63275779
N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-8-nitroisoquinolin-5-amine
CID 133315097
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-8-nitroisoquinolin-5-amine
CID 133288140
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 115115910

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile (CID 114287570) is 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile is CN1CCC(CN(C)c2cnccc2C#N)C1.
What is the InChIKey of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile?
The InChIKey is IFQNLYBQQLLCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16-6-4-11(9-16)10-17(2)13-8-15-5-3-12(13)7-14/h3,5,8,11H,4,6,9-10H2,1-2H3.
What are the key properties of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile?
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 114287570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).