6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile

C16H24N4O — CID 23739814

IUPAC6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile
SMILESCC(C)c1c(NCCN)nc(C#N)c2c1CC(C)(C)OC2
InChIInChI=1S/C16H24N4O/c1-10(2)14-11-7-16(3,4)21-9-12(11)13(8-18)20-15(14)19-6-5-17/h10H,5-7,9,17H2,1-4H3,(H,19,20)
InChIKeyHYRQSFXEAAGODN-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.30
Rot. Bonds4

About 6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile

6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile (PubChem CID 23739814) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile.

Molecular Properties

Compound Name6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile
PubChem CID23739814
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile
SMILESCC(C)c1c(NCCN)nc(C#N)c2c1CC(C)(C)OC2
InChIInChI=1S/C16H24N4O/c1-10(2)14-11-7-16(3,4)21-9-12(11)13(8-18)20-15(14)19-6-5-17/h10H,5-7,9,17H2,1-4H3,(H,19,20)
InChIKeyHYRQSFXEAAGODN-UHFFFAOYSA-N
XLogP2.30
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile with MolForge

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Related Compounds

5-chloro-3,3-dimethyl-6-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile
CID 23938150
4-(3-hydroxypropylamino)-7,7-dimethyl-3-phenyl-5,8-dihydropyrano[4,3-b]pyridine-2-carbonitrile
CID 171987398
8-ethyl-3,3-dimethyl-6-(2-methylpropylamino)-1,4-dihydropyrano[3,4-c]pyridin-7-ium-5-carbonitrile
CID 6937082
6,6-dimethyl-2-piperazin-1-yl-4-propan-2-yl-5,8-dihydropyrano[3,4-b]pyridine-3-carbonitrile
CID 171987526
8-(furan-2-yl)-3,3-dimethyl-6-(2-phenylethylamino)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 659403
N'-(4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)ethane-1,2-diamine
CID 3301343
2-(2-aminoethylcarbamoylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid
CID 22333445
6-[(2-fluorophenyl)methoxy]-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 42537570
7,7-dimethyl-2-(2-morpholin-4-ylethylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 658654
2-(cyclohexylamino)-7,7-dimethyl-4-(2-methylpropyl)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 23881945
N-(4,4-dimethyl-15-methylsulfanyl-8-propan-2-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)-N',N'-dimethylethane-1,2-diamine
CID 3698630
6-chloro-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86727215

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile?
The IUPAC name of 6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile (CID 23739814) is 6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile.
What is the SMILES notation for 6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile?
The canonical SMILES for 6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile is CC(C)c1c(NCCN)nc(C#N)c2c1CC(C)(C)OC2.
What is the InChIKey of 6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile?
The InChIKey is HYRQSFXEAAGODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-10(2)14-11-7-16(3,4)21-9-12(11)13(8-18)20-15(14)19-6-5-17/h10H,5-7,9,17H2,1-4H3,(H,19,20).
What are the key properties of 6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile?
6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile has a molecular weight of 288.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethylamino)-3,3-dimethyl-5-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-8-carbonitrile is sourced from PubChem (CID 23739814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).