2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

C21H31N3O — CID 23881945

IUPAC2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC(C)Cc1c(C#N)c(NC2CCCCC2)nc2c1COC(C)(C)C2
InChIInChI=1S/C21H31N3O/c1-14(2)10-16-17(12-22)20(23-15-8-6-5-7-9-15)24-19-11-21(3,4)25-13-18(16)19/h14-15H,5-11,13H2,1-4H3,(H,23,24)
InChIKeyOZJOSVKTPZKJOB-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.75
Rot. Bonds4

About 2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile

2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 23881945) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID23881945
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC(C)Cc1c(C#N)c(NC2CCCCC2)nc2c1COC(C)(C)C2
InChIInChI=1S/C21H31N3O/c1-14(2)10-16-17(12-22)20(23-15-8-6-5-7-9-15)24-19-11-21(3,4)25-13-18(16)19/h14-15H,5-11,13H2,1-4H3,(H,23,24)
InChIKeyOZJOSVKTPZKJOB-UHFFFAOYSA-N
XLogP4.75
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,7-dimethyl-4-(2-methylpropyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 23800095
2,4-bis(cyclohexylamino)-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 23960569
3-(cyclohexylamino)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 749186
2,7,7-trimethyl-4-pyrrolidin-1-yl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 23855171
7,7-dimethyl-2-(2-methylpropoxy)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 39378248
6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86727215
3,3-dimethyl-6-piperidin-1-yl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 7358488
1-(cyclohexylamino)-4-propyl-5,6,7,8-tetrahydroisoquinoline-3-carbonitrile
CID 23820415
6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459511
3-(cyclooctylamino)pyrazine-2-carbonitrile
CID 62671623
N-cyclohexyl-5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
CID 2019811
8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 6937082

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 23881945) is 2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CC(C)Cc1c(C#N)c(NC2CCCCC2)nc2c1COC(C)(C)C2.
What is the InChIKey of 2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is OZJOSVKTPZKJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-14(2)10-16-17(12-22)20(23-15-8-6-5-7-9-15)24-19-11-21(3,4)25-13-18(16)19/h14-15H,5-11,13H2,1-4H3,(H,23,24).
What are the key properties of 2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 341.50 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 23881945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).