2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile

C10H13N3 — CID 22688898

IUPAC2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
SMILESCN(CC#N)CCc1ccncc1
InChIInChI=1S/C10H13N3/c1-13(9-5-11)8-4-10-2-6-12-7-3-10/h2-3,6-7H,4,8-9H2,1H3
InChIKeyKEPSPUKXPOKZAU-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.08
Rot. Bonds4

About 2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile

2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile (PubChem CID 22688898) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
PubChem CID22688898
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
SMILESCN(CC#N)CCc1ccncc1
InChIInChI=1S/C10H13N3/c1-13(9-5-11)8-4-10-2-6-12-7-3-10/h2-3,6-7H,4,8-9H2,1H3
InChIKeyKEPSPUKXPOKZAU-UHFFFAOYSA-N
XLogP1.08
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 55207049
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
CID 82282650
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile
CID 63029274
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
N-[(4-iodophenyl)methyl]-N-methyl-2-pyridin-4-ylethanamine
CID 65478370
3-chloro-4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]benzonitrile
CID 102665321
2-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]acetonitrile
CID 115131336
2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 79812656
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile?
The IUPAC name of 2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile (CID 22688898) is 2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile?
The canonical SMILES for 2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile is CN(CC#N)CCc1ccncc1.
What is the InChIKey of 2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile?
The InChIKey is KEPSPUKXPOKZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13(9-5-11)8-4-10-2-6-12-7-3-10/h2-3,6-7H,4,8-9H2,1H3.
What are the key properties of 2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile?
2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile has a molecular weight of 175.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile is sourced from PubChem (CID 22688898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).