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

C13H18N4 — CID 63274025

IUPAC2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
SMILESCN1CCC(CN(C)c2cc(C#N)ccn2)C1
InChIInChI=1S/C13H18N4/c1-16-6-4-12(9-16)10-17(2)13-7-11(8-14)3-5-15-13/h3,5,7,12H,4,6,9-10H2,1-2H3
InChIKeyXPTRZDYNVSBHOM-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.34
Rot. Bonds3

About 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile

2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile (PubChem CID 63274025) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
PubChem CID63274025
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
SMILESCN1CCC(CN(C)c2cc(C#N)ccn2)C1
InChIInChI=1S/C13H18N4/c1-16-6-4-12(9-16)10-17(2)13-7-11(8-14)3-5-15-13/h3,5,7,12H,4,6,9-10H2,1-2H3
InChIKeyXPTRZDYNVSBHOM-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-methylpiperidin-3-yl)amino]pyridine-4-carbonitrile
CID 62547856
2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 115143377
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 71641983
3-chloro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 107057707
N-methyl-4-(methylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63234682
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride
CID 71641982
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 114287570
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80829312
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyridine-2-carbonitrile
CID 63234581
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 115115910
4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143652
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzonitrile
CID 63274069

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile (CID 63274025) is 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile is CN1CCC(CN(C)c2cc(C#N)ccn2)C1.
What is the InChIKey of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile?
The InChIKey is XPTRZDYNVSBHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-16-6-4-12(9-16)10-17(2)13-7-11(8-14)3-5-15-13/h3,5,7,12H,4,6,9-10H2,1-2H3.
What are the key properties of 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile?
2-[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 2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 63274025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).