2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile

C19H15N3O — CID 3830531

IUPAC2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile
SMILESCn1c2c(c3ccccc31)OC(N)=C(C#N)C2c1ccccc1
InChIInChI=1S/C19H15N3O/c1-22-15-10-6-5-9-13(15)18-17(22)16(12-7-3-2-4-8-12)14(11-20)19(21)23-18/h2-10,16H,21H2,1H3
InChIKeyUDHBPXSTYFIPOR-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.40
Rot. Bonds1

About 2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile

2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile (PubChem CID 3830531) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile
PubChem CID3830531
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile
SMILESCn1c2c(c3ccccc31)OC(N)=C(C#N)C2c1ccccc1
InChIInChI=1S/C19H15N3O/c1-22-15-10-6-5-9-13(15)18-17(22)16(12-7-3-2-4-8-12)14(11-20)19(21)23-18/h2-10,16H,21H2,1H3
InChIKeyUDHBPXSTYFIPOR-UHFFFAOYSA-N
XLogP3.40
TPSA63.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-amino-4-(4-hydroxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 28611120
2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 14168965
(4R)-2-amino-4-(4-methoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 28611122
2-amino-6-methyl-4-(4-nitrophenyl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920271
2-amino-4-(4-ethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920617
5-acetyl-2-amino-4-(3-chlorophenyl)-4H-pyrano[3,2-b]indole-3-carbonitrile
CID 3502693
(4R)-2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 7347521
2-amino-6-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920273
2-amino-6-methyl-4-(2-methyl-1-benzothiophen-3-yl)-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 5301845
2-amino-4-(4-bromothiophen-2-yl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920545
2-amino-4-(2,3-dimethoxyphenyl)-6-methyl-5-oxo-4H-pyrano[3,2-c]quinoline-3-carbonitrile
CID 4920236
(4S)-5-acetyl-2-amino-4-(2-chlorophenyl)-4H-pyrano[3,2-b]indole-3-carbonitrile
CID 7278319

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile (CID 3830531) is 2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile is Cn1c2c(c3ccccc31)OC(N)=C(C#N)C2c1ccccc1.
What is the InChIKey of 2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile?
The InChIKey is UDHBPXSTYFIPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-22-15-10-6-5-9-13(15)18-17(22)16(12-7-3-2-4-8-12)14(11-20)19(21)23-18/h2-10,16H,21H2,1H3.
What are the key properties of 2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile?
2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile has a molecular weight of 301.35 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile is sourced from PubChem (CID 3830531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).