2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile

C14H19N3O — CID 65122274

IUPAC2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2(O)CCCCCC2)c1
InChIInChI=1S/C14H19N3O/c15-10-12-5-8-16-13(9-12)17-11-14(18)6-3-1-2-4-7-14/h5,8-9,18H,1-4,6-7,11H2,(H,16,17)
InChIKeyCVLDXTPZEMREPU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds3

About 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile

2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile (PubChem CID 65122274) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile
PubChem CID65122274
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2(O)CCCCCC2)c1
InChIInChI=1S/C14H19N3O/c15-10-12-5-8-16-13(9-12)17-11-14(18)6-3-1-2-4-7-14/h5,8-9,18H,1-4,6-7,11H2,(H,16,17)
InChIKeyCVLDXTPZEMREPU-UHFFFAOYSA-N
XLogP2.45
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile (CID 65122274) is 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCC2(O)CCCCCC2)c1.
What is the InChIKey of 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is CVLDXTPZEMREPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-10-12-5-8-16-13(9-12)17-11-14(18)6-3-1-2-4-7-14/h5,8-9,18H,1-4,6-7,11H2,(H,16,17).
What are the key properties of 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile?
2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 65122274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).