5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile

C15H22N4 — CID 106642589

IUPAC5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile
SMILESCCCN(CC1CCCCN1)c1ccc(C#N)nc1
InChIInChI=1S/C15H22N4/c1-2-9-19(12-14-5-3-4-8-17-14)15-7-6-13(10-16)18-11-15/h6-7,11,14,17H,2-5,8-9,12H2,1H3
InChIKeyXQQHOPYZDRAHAR-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.31
Rot. Bonds5

About 5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile

5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile (PubChem CID 106642589) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile
PubChem CID106642589
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile
SMILESCCCN(CC1CCCCN1)c1ccc(C#N)nc1
InChIInChI=1S/C15H22N4/c1-2-9-19(12-14-5-3-4-8-17-14)15-7-6-13(10-16)18-11-15/h6-7,11,14,17H,2-5,8-9,12H2,1H3
InChIKeyXQQHOPYZDRAHAR-UHFFFAOYSA-N
XLogP2.31
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106619532
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106621125
5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106620212
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
5-chloro-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642347
3-fluoro-4-[piperidin-2-ylmethyl(propyl)amino]benzonitrile
CID 106642506
5-iodo-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-4-amine
CID 106642309
6-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-sulfonamide
CID 106608168
3,5-difluoro-4-[propyl(pyrrolidin-2-ylmethyl)amino]benzonitrile
CID 106619820
5,6-dimethyl-3-[piperidin-2-ylmethyl(propyl)amino]pyridazine-4-carbonitrile
CID 106642345
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566

Frequently Asked Questions

What is the IUPAC name of 5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile (CID 106642589) is 5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile is CCCN(CC1CCCCN1)c1ccc(C#N)nc1.
What is the InChIKey of 5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile?
The InChIKey is XQQHOPYZDRAHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-9-19(12-14-5-3-4-8-17-14)15-7-6-13(10-16)18-11-15/h6-7,11,14,17H,2-5,8-9,12H2,1H3.
What are the key properties of 5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile?
5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[piperidin-2-ylmethyl(propyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 106642589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).