3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile

C14H14N4 — CID 55127965

IUPAC3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCCc1ccccn1
InChIInChI=1S/C14H14N4/c15-10-14-12(4-3-8-18-14)11-16-9-6-13-5-1-2-7-17-13/h1-5,7-8,16H,6,9,11H2
InChIKeyAYRCQUCZSYJFTB-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.68
Rot. Bonds5

About 3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile

3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile (PubChem CID 55127965) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile
PubChem CID55127965
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNCCc1ccccn1
InChIInChI=1S/C14H14N4/c15-10-14-12(4-3-8-18-14)11-16-9-6-13-5-1-2-7-17-13/h1-5,7-8,16H,6,9,11H2
InChIKeyAYRCQUCZSYJFTB-UHFFFAOYSA-N
XLogP1.68
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile (CID 55127965) is 3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNCCc1ccccn1.
What is the InChIKey of 3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is AYRCQUCZSYJFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-10-14-12(4-3-8-18-14)11-16-9-6-13-5-1-2-7-17-13/h1-5,7-8,16H,6,9,11H2.
What are the key properties of 3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile?
3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 55127965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).