2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile

C23H18N2O2 — CID 139267339

IUPAC2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile
SMILESCOc1cc2ccccc2cc1C1C=C(c2ccccc2)OC(N)=C1C#N
InChIInChI=1S/C23H18N2O2/c1-26-22-12-17-10-6-5-9-16(17)11-19(22)18-13-21(15-7-3-2-4-8-15)27-23(25)20(18)14-24/h2-13,18H,25H2,1H3
InChIKeyZHMOSKYQALMBFT-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.70
Rot. Bonds3

About 2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile

2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile (PubChem CID 139267339) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile
PubChem CID139267339
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile
SMILESCOc1cc2ccccc2cc1C1C=C(c2ccccc2)OC(N)=C1C#N
InChIInChI=1S/C23H18N2O2/c1-26-22-12-17-10-6-5-9-16(17)11-19(22)18-13-21(15-7-3-2-4-8-15)27-23(25)20(18)14-24/h2-13,18H,25H2,1H3
InChIKeyZHMOSKYQALMBFT-UHFFFAOYSA-N
XLogP4.70
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4,6-diphenyl-4H-pyran-3-carbonitrile
CID 14066090
(4R)-2-amino-4-(2,5-dimethoxyphenyl)-6-phenyl-4H-pyran-3,5-dicarbonitrile
CID 1023306
(4S)-6-amino-4-(2,4-dimethoxyphenyl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1112102
(4R)-2-amino-4-(5-bromo-2-methoxyphenyl)-4H-chromene-3-carbonitrile
CID 8613647
(1S)-3-amino-1-(2-methoxyphenyl)-1H-benzo[f]chromene-2-carbonitrile
CID 968492
(4R)-2-amino-4-(2,3-dimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 1378092
[2-amino-3-cyano-4-(2-methoxyphenyl)-4H-chromen-7-yl] benzoate
CID 19120865
(4R)-2-amino-4-(2-methoxynaphthalen-1-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 1086206
(4S)-2-amino-4-(2-methoxynaphthalen-1-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 1086205
2-amino-6-(2-chloro-6-ethoxy-4-pyridinyl)-4-thiophen-2-yl-4H-pyran-3-carbonitrile
CID 25140584
(4S)-2-amino-4-(3-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 793791
(4R)-2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 700282

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile (CID 139267339) is 2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile is COc1cc2ccccc2cc1C1C=C(c2ccccc2)OC(N)=C1C#N.
What is the InChIKey of 2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile?
The InChIKey is ZHMOSKYQALMBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c1-26-22-12-17-10-6-5-9-16(17)11-19(22)18-13-21(15-7-3-2-4-8-15)27-23(25)20(18)14-24/h2-13,18H,25H2,1H3.
What are the key properties of 2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile?
2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile has a molecular weight of 354.41 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methoxynaphthalen-2-yl)-6-phenyl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 139267339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).