2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile

C19H12N4O — CID 10267666

IUPAC2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3cc[nH]c23)C1c1cccc(C#N)c1
InChIInChI=1S/C19H12N4O/c20-9-11-2-1-3-13(8-11)16-14-5-4-12-6-7-23-17(12)18(14)24-19(22)15(16)10-21/h1-8,16,23H,22H2
InChIKeyHMIDRJIJLTZELH-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.26
Rot. Bonds1

About 2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile

2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile (PubChem CID 10267666) has the molecular formula C19H12N4O and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile
PubChem CID10267666
Molecular FormulaC19H12N4O
Molecular Weight312.33 g/mol
Exact Mass312.10
IUPAC Name2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(ccc3cc[nH]c23)C1c1cccc(C#N)c1
InChIInChI=1S/C19H12N4O/c20-9-11-2-1-3-13(8-11)16-14-5-4-12-6-7-23-17(12)18(14)24-19(22)15(16)10-21/h1-8,16,23H,22H2
InChIKeyHMIDRJIJLTZELH-UHFFFAOYSA-N
XLogP3.26
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile (CID 10267666) is 2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile is N#CC1=C(N)Oc2c(ccc3cc[nH]c23)C1c1cccc(C#N)c1.
What is the InChIKey of 2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile?
The InChIKey is HMIDRJIJLTZELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O/c20-9-11-2-1-3-13(8-11)16-14-5-4-12-6-7-23-17(12)18(14)24-19(22)15(16)10-21/h1-8,16,23H,22H2.
What are the key properties of 2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile?
2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile has a molecular weight of 312.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-cyanophenyl)-4,9-dihydropyrano[3,2-g]indole-3-carbonitrile is sourced from PubChem (CID 10267666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).