6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile

C13H18N4 — CID 106642122

IUPAC6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(CC1CCCCN1)c1ccc(C#N)cn1
InChIInChI=1S/C13H18N4/c1-17(10-12-4-2-3-7-15-12)13-6-5-11(8-14)9-16-13/h5-6,9,12,15H,2-4,7,10H2,1H3
InChIKeyVHAPDDPQCDLVEB-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.53
Rot. Bonds3

About 6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile

6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile (PubChem CID 106642122) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
PubChem CID106642122
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
SMILESCN(CC1CCCCN1)c1ccc(C#N)cn1
InChIInChI=1S/C13H18N4/c1-17(10-12-4-2-3-7-15-12)13-6-5-11(8-14)9-16-13/h5-6,9,12,15H,2-4,7,10H2,1H3
InChIKeyVHAPDDPQCDLVEB-UHFFFAOYSA-N
XLogP1.53
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350
5-bromo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 71641969
5-bromo-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-amine
CID 97164291
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 71641983
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride
CID 71641982
5-cyano-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 106626546
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164149
2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164147
2-chloro-N,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71641823
3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106618513
5-cyano-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609890

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile (CID 106642122) is 6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile is CN(CC1CCCCN1)c1ccc(C#N)cn1.
What is the InChIKey of 6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile?
The InChIKey is VHAPDDPQCDLVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17(10-12-4-2-3-7-15-12)13-6-5-11(8-14)9-16-13/h5-6,9,12,15H,2-4,7,10H2,1H3.
What are the key properties of 6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile?
6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 106642122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).