7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile

C9H9N3O — CID 82598786

IUPAC7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile
SMILESN#Cc1c(N)ncc2c1COCC2
InChIInChI=1S/C9H9N3O/c10-3-7-8-5-13-2-1-6(8)4-12-9(7)11/h4H,1-2,5H2,(H2,11,12)
InChIKeyJEDKSWWMNZKJRM-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.61
Rot. Bonds

About 7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile

7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile (PubChem CID 82598786) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile
PubChem CID82598786
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile
SMILESN#Cc1c(N)ncc2c1COCC2
InChIInChI=1S/C9H9N3O/c10-3-7-8-5-13-2-1-6(8)4-12-9(7)11/h4H,1-2,5H2,(H2,11,12)
InChIKeyJEDKSWWMNZKJRM-UHFFFAOYSA-N
XLogP0.61
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carbonitrile;dihydrochloride
CID 155822296
6-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 171502278
6-amino-2-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
CID 54369933
6-amino-2-benzyl-1,3-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
CID 54213695
6-amino-4-methyl-1,3-dihydrofuro[3,4-c]pyridine-7-carbonitrile
CID 96630300
7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 66815583
2-amino-4,5-dimethylpyridine-3-carbonitrile
CID 90296601
2-amino-4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56876489
2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carbonitrile
CID 91756494
2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56864350
3-(chloromethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 86018923
3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 13481189

Frequently Asked Questions

What is the IUPAC name of 7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile?
The IUPAC name of 7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile (CID 82598786) is 7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile.
What is the SMILES notation for 7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile?
The canonical SMILES for 7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile is N#Cc1c(N)ncc2c1COCC2.
What is the InChIKey of 7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile?
The InChIKey is JEDKSWWMNZKJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c10-3-7-8-5-13-2-1-6(8)4-12-9(7)11/h4H,1-2,5H2,(H2,11,12).
What are the key properties of 7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile?
7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3,4-dihydro-1H-pyrano[4,3-c]pyridine-8-carbonitrile is sourced from PubChem (CID 82598786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).