6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile

C17H21N5O — CID 138042647

IUPAC6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile
SMILESCCc1noc(C2CCC(NCc3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C17H21N5O/c1-2-16-21-17(23-22-16)13-4-7-14(8-5-13)20-11-15-6-3-12(9-18)10-19-15/h3,6,10,13-14,20H,2,4-5,7-8,11H2,1H3
InChIKeyGSIMSJQQMRNVTK-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.71
Rot. Bonds5

About 6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile

6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile (PubChem CID 138042647) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile
PubChem CID138042647
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile
SMILESCCc1noc(C2CCC(NCc3ccc(C#N)cn3)CC2)n1
InChIInChI=1S/C17H21N5O/c1-2-16-21-17(23-22-16)13-4-7-14(8-5-13)20-11-15-6-3-12(9-18)10-19-15/h3,6,10,13-14,20H,2,4-5,7-8,11H2,1H3
InChIKeyGSIMSJQQMRNVTK-UHFFFAOYSA-N
XLogP2.71
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

[2-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]phenyl]methanol
CID 110013138
4-cyano-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 131941425
N-[[5-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79782731
3-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pentan-1-ol
CID 110013337
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
2-[[5-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-2-pyridinyl]oxy]ethanol
CID 110013550
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619
N-[(5-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 80708604
N-ethyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350837
2-[[6-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]-3-pyridinyl]-methylamino]ethanol
CID 110013500
2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol
CID 110012312
6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile
CID 156831035

Frequently Asked Questions

What is the IUPAC name of 6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile (CID 138042647) is 6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile is CCc1noc(C2CCC(NCc3ccc(C#N)cn3)CC2)n1.
What is the InChIKey of 6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile?
The InChIKey is GSIMSJQQMRNVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-16-21-17(23-22-16)13-4-7-14(8-5-13)20-11-15-6-3-12(9-18)10-19-15/h3,6,10,13-14,20H,2,4-5,7-8,11H2,1H3.
What are the key properties of 6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile?
6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile has a molecular weight of 311.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 138042647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).