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

C16H23N3O — CID 658269

IUPAC7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC(C)CCNc1nc2c(cc1C#N)COC(C)(C)C2
InChIInChI=1S/C16H23N3O/c1-11(2)5-6-18-15-12(9-17)7-13-10-20-16(3,4)8-14(13)19-15/h7,11H,5-6,8,10H2,1-4H3,(H,18,19)
InChIKeyQKHPWRLFCMGPBM-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.26
Rot. Bonds4

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

7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 658269) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID658269
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
SMILESCC(C)CCNc1nc2c(cc1C#N)COC(C)(C)C2
InChIInChI=1S/C16H23N3O/c1-11(2)5-6-18-15-12(9-17)7-13-10-20-16(3,4)8-14(13)19-15/h7,11H,5-6,8,10H2,1-4H3,(H,18,19)
InChIKeyQKHPWRLFCMGPBM-UHFFFAOYSA-N
XLogP3.26
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile (CID 658269) is 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is CC(C)CCNc1nc2c(cc1C#N)COC(C)(C)C2.
What is the InChIKey of 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is QKHPWRLFCMGPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)5-6-18-15-12(9-17)7-13-10-20-16(3,4)8-14(13)19-15/h7,11H,5-6,8,10H2,1-4H3,(H,18,19).
What are the key properties of 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile?
7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-(3-methylbutylamino)-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 658269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).