4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile

C18H11N5O — CID 91317473

IUPAC4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile
SMILES[H]/N=C1\Oc2c(ccc3cc[nH]c23)C(c2cncc(C#N)c2)C1C#N
InChIInChI=1S/C18H11N5O/c19-6-10-5-12(9-22-8-10)15-13-2-1-11-3-4-23-16(11)17(13)24-18(21)14(15)7-20/h1-5,8-9,14-15,21,23H/b21-18-
InChIKeyABYVBVUICULPGX-UZYVYHOESA-N
MW313.32 g/mol
LogP3.08
Rot. Bonds1

About 4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile

4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile (PubChem CID 91317473) has the molecular formula C18H11N5O and a molecular weight of 313.32 g/mol. Its IUPAC name is 4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile.

Molecular Properties

Compound Name4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile
PubChem CID91317473
Molecular FormulaC18H11N5O
Molecular Weight313.32 g/mol
Exact Mass313.10
IUPAC Name4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile
SMILES[H]/N=C1\Oc2c(ccc3cc[nH]c23)C(c2cncc(C#N)c2)C1C#N
InChIInChI=1S/C18H11N5O/c19-6-10-5-12(9-22-8-10)15-13-2-1-11-3-4-23-16(11)17(13)24-18(21)14(15)7-20/h1-5,8-9,14-15,21,23H/b21-18-
InChIKeyABYVBVUICULPGX-UZYVYHOESA-N
XLogP3.08
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile with MolForge

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Related Compounds

7-amino-4-(4-chlorophenyl)-2-imino-3,4-dihydrobenzo[h]chromene-3-carbonitrile
CID 11244960
4-(2,5-dimethylphenyl)-6-imino-3-methyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 123618247
7-amino-4-(3-chlorophenyl)-2-imino-3,4-dihydrochromene-3-carbonitrile
CID 90907255
5-[(2S)-azetidin-2-yl]pyridine-3-carbonitrile
CID 55263477
4-(2-fluorophenyl)-6-imino-3-methyl-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 175687518
5-cyanopyridine-3-carboximidamide;hydrochloride
CID 133058450
2-imino-4-[1-[(2-methylphenyl)methyl]pyridin-1-ium-4-yl]-5-oxo-3,4-dihydropyrano[3,2-c]chromene-3-carbonitrile
CID 91898797
5-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376340
5-[(3R)-3-hydroxy-2,3,4,4a,5,6,7,7a-octahydropyrano[2,3-c]pyrrol-5-yl]pyridine-3-carbonitrile
CID 67065424
5-chloropyridine-3-carbonitrile
CID 12645070
5,7-dimethyl-1H-indole-6-carbonitrile
CID 129148975
(5-cyano-3-pyridinyl)-oxosulfanium
CID 174076461

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile?
The IUPAC name of 4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile (CID 91317473) is 4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile.
What is the SMILES notation for 4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile?
The canonical SMILES for 4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile is [H]/N=C1\Oc2c(ccc3cc[nH]c23)C(c2cncc(C#N)c2)C1C#N.
What is the InChIKey of 4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile?
The InChIKey is ABYVBVUICULPGX-UZYVYHOESA-N. The full InChI is InChI=1S/C18H11N5O/c19-6-10-5-12(9-22-8-10)15-13-2-1-11-3-4-23-16(11)17(13)24-18(21)14(15)7-20/h1-5,8-9,14-15,21,23H/b21-18-.
What are the key properties of 4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile?
4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile has a molecular weight of 313.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-3-pyridinyl)-2-imino-4,9-dihydro-3H-pyrano[3,2-g]indole-3-carbonitrile is sourced from PubChem (CID 91317473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).