2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride

C12H17ClN4 — CID 71641982

IUPAC2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride
SMILESCN(CC1CCCN1)c1cc(C#N)ccn1.Cl
InChIInChI=1S/C12H16N4.ClH/c1-16(9-11-3-2-5-14-11)12-7-10(8-13)4-6-15-12;/h4,6-7,11,14H,2-3,5,9H2,1H3;1H
InChIKeyUCDQRGXJCMSHLF-UHFFFAOYSA-N
MW252.75 g/mol
LogP1.56
Rot. Bonds3

About 2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride

2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride (PubChem CID 71641982) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride
PubChem CID71641982
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride
SMILESCN(CC1CCCN1)c1cc(C#N)ccn1.Cl
InChIInChI=1S/C12H16N4.ClH/c1-16(9-11-3-2-5-14-11)12-7-10(8-13)4-6-15-12;/h4,6-7,11,14H,2-3,5,9H2,1H3;1H
InChIKeyUCDQRGXJCMSHLF-UHFFFAOYSA-N
XLogP1.56
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 71641983
6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106642122
3-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carbonitrile
CID 106618513
6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71642006
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carbonitrile
CID 63274025
2-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine-4-carbonitrile
CID 94406446
6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97164330
2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]pyridine-4-carbonitrile
CID 97165172
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164149
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride?
The IUPAC name of 2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride (CID 71641982) is 2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride?
The canonical SMILES for 2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride is CN(CC1CCCN1)c1cc(C#N)ccn1.Cl.
What is the InChIKey of 2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride?
The InChIKey is UCDQRGXJCMSHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.ClH/c1-16(9-11-3-2-5-14-11)12-7-10(8-13)4-6-15-12;/h4,6-7,11,14H,2-3,5,9H2,1H3;1H.
What are the key properties of 2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride?
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 71641982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).