2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile

C26H18N4O — CID 139214305

IUPAC2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile
SMILESCn1cc(C2=C(C#N)C(c3ccc4ccccc4c3)C(C#N)=C(N)O2)c2ccccc21
InChIInChI=1S/C26H18N4O/c1-30-15-22(19-8-4-5-9-23(19)30)25-20(13-27)24(21(14-28)26(29)31-25)18-11-10-16-6-2-3-7-17(16)12-18/h2-12,15,24H,29H2,1H3
InChIKeyWVDPYNZBFQKEAW-UHFFFAOYSA-N
MW402.46 g/mol
LogP5.07
Rot. Bonds2

About 2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile

2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile (PubChem CID 139214305) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is 2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile
PubChem CID139214305
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC Name2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile
SMILESCn1cc(C2=C(C#N)C(c3ccc4ccccc4c3)C(C#N)=C(N)O2)c2ccccc21
InChIInChI=1S/C26H18N4O/c1-30-15-22(19-8-4-5-9-23(19)30)25-20(13-27)24(21(14-28)26(29)31-25)18-11-10-16-6-2-3-7-17(16)12-18/h2-12,15,24H,29H2,1H3
InChIKeyWVDPYNZBFQKEAW-UHFFFAOYSA-N
XLogP5.07
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_amino_CN_C(7)', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(2-bromophenyl)-6-(1-methylindol-3-yl)-4H-pyran-3,5-dicarbonitrile
CID 139214302
(4S)-2-amino-7-methyl-4-naphthalen-2-yl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 791725
2-amino-5-methyl-4-phenyl-4H-pyrano[3,2-b]indole-3-carbonitrile
CID 3830531
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
(4S)-2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 793791
2-amino-4-(1-methylindol-3-yl)furan-3-carbonitrile
CID 82476649
4-amino-2-(1-methylindol-3-yl)pyrimidine-5-carbonitrile
CID 116865128
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282
(4R)-6-amino-3-(3,4-dimethylphenyl)-4-naphthalen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1006228
2-amino-4-(1-methylindol-3-yl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 139228785
2-(1-methylindol-3-yl)aniline
CID 138983733

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile (CID 139214305) is 2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile is Cn1cc(C2=C(C#N)C(c3ccc4ccccc4c3)C(C#N)=C(N)O2)c2ccccc21.
What is the InChIKey of 2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile?
The InChIKey is WVDPYNZBFQKEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O/c1-30-15-22(19-8-4-5-9-23(19)30)25-20(13-27)24(21(14-28)26(29)31-25)18-11-10-16-6-2-3-7-17(16)12-18/h2-12,15,24H,29H2,1H3.
What are the key properties of 2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile?
2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile has a molecular weight of 402.46 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(1-methylindol-3-yl)-4-naphthalen-2-yl-4H-pyran-3,5-dicarbonitrile is sourced from PubChem (CID 139214305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).