4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile

C14H19N3O2 — CID 138644006

IUPAC4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile
SMILESCNc1cc(OC2CCC(OC)CC2)c(C#N)cn1
InChIInChI=1S/C14H19N3O2/c1-16-14-7-13(10(8-15)9-17-14)19-12-5-3-11(18-2)4-6-12/h7,9,11-12H,3-6H2,1-2H3,(H,16,17)
InChIKeyLJZHPWIOAAKUCH-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.33
Rot. Bonds4

About 4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile

4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile (PubChem CID 138644006) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile
PubChem CID138644006
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile
SMILESCNc1cc(OC2CCC(OC)CC2)c(C#N)cn1
InChIInChI=1S/C14H19N3O2/c1-16-14-7-13(10(8-15)9-17-14)19-12-5-3-11(18-2)4-6-12/h7,9,11-12H,3-6H2,1-2H3,(H,16,17)
InChIKeyLJZHPWIOAAKUCH-UHFFFAOYSA-N
XLogP2.33
TPSA67.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-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 4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile (CID 138644006) is 4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile is CNc1cc(OC2CCC(OC)CC2)c(C#N)cn1.
What is the InChIKey of 4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile?
The InChIKey is LJZHPWIOAAKUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-14-7-13(10(8-15)9-17-14)19-12-5-3-11(18-2)4-6-12/h7,9,11-12H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile?
4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile has a molecular weight of 261.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxycyclohexyl)oxy-6-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 138644006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).