5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile

C14H20N4 — CID 114094754

IUPAC5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile
SMILESCC1(CNc2ncc(N)cc2C#N)CCCCC1
InChIInChI=1S/C14H20N4/c1-14(5-3-2-4-6-14)10-18-13-11(8-15)7-12(16)9-17-13/h7,9H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyYEOYCSNOYZYVKY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.92
Rot. Bonds3

About 5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile

5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile (PubChem CID 114094754) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile
PubChem CID114094754
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile
SMILESCC1(CNc2ncc(N)cc2C#N)CCCCC1
InChIInChI=1S/C14H20N4/c1-14(5-3-2-4-6-14)10-18-13-11(8-15)7-12(16)9-17-13/h7,9H,2-6,10,16H2,1H3,(H,17,18)
InChIKeyYEOYCSNOYZYVKY-UHFFFAOYSA-N
XLogP2.92
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile (CID 114094754) is 5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile is CC1(CNc2ncc(N)cc2C#N)CCCCC1.
What is the InChIKey of 5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is YEOYCSNOYZYVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(5-3-2-4-6-14)10-18-13-11(8-15)7-12(16)9-17-13/h7,9H,2-6,10,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile?
5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-methylcyclohexyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 114094754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).