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

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Related Compounds

4-[(4-methoxycyclohexyl)amino]-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 164620869
N-(5-cyano-6-cyclopropyloxy-3-pyridinyl)formamide
CID 164600520
6-(4,4-dimethylcyclohexyl)oxy-N-methylpyrimidin-4-amine
CID 114342901
3-cyclopropyloxy-2,5-difluorobenzonitrile
CID 156825517
4-[[(3S)-3-hydroxy-3-methylcyclohexyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carbonitrile
CID 135290946
4-[[(3S)-3-hydroxycyclohexyl]amino]-2-[(4-methoxy-1-methylcyclohexyl)amino]pyrimidine-5-carbonitrile
CID 118534954
[5-cyano-4-(2-methoxyethoxy)-2-pyridinyl]carbamic acid
CID 118038729
2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
CID 103081967
3-chloro-4-methyl-5-[4-(methylamino)cyclohexyl]oxypyridine-2-carbonitrile
CID 176986469
2-cyclopropyloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile
CID 133055707
6-(4-methoxy-2-methylidenepyrrolidin-1-yl)-4-(4-pyrimidin-2-yloxycyclohexyl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 176919279
2-[6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80863385

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).