3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide

C19H16N4O2 — CID 133064048

IUPAC3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide
SMILESN#CC1(C(N)=O)C2=C(CCCC2)OC(c2ccccc2)C1(C#N)C#N
InChIInChI=1S/C19H16N4O2/c20-10-18(11-21)16(13-6-2-1-3-7-13)25-15-9-5-4-8-14(15)19(18,12-22)17(23)24/h1-3,6-7,16H,4-5,8-9H2,(H2,23,24)
InChIKeyBUQHCOGNILIIHE-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.61
Rot. Bonds2

About 3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide

3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide (PubChem CID 133064048) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound Name3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide
PubChem CID133064048
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide
SMILESN#CC1(C(N)=O)C2=C(CCCC2)OC(c2ccccc2)C1(C#N)C#N
InChIInChI=1S/C19H16N4O2/c20-10-18(11-21)16(13-6-2-1-3-7-13)25-15-9-5-4-8-14(15)19(18,12-22)17(23)24/h1-3,6-7,16H,4-5,8-9H2,(H2,23,24)
InChIKeyBUQHCOGNILIIHE-UHFFFAOYSA-N
XLogP2.61
TPSA123.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-1-oxo-4-phenyl-1,3a,4,6,7,8,9,9b-octa-hydrochromeno[3,4-c]pyrrole-3a,9b-dicarbonitrile
CID 110875287
3-Amino-1-oxo-4-phenyl-3a,4,6,7,8,9,10,10b-octahydro-1h-cyclohepta[5,6]pyrano[3,4-c]pyrrole-3a,10b-dicarbonitrile
CID 110875304
3-Cyano-2-ethyl-2-(4-phenylphenyl)oxane-4-carboxamide
CID 66647141
1-(2-Methoxy-2-phenylethyl)cyclohexane-1-carboxamide
CID 69480242
1-(2-Methoxy-2-phenylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 69939737
4-Cyano-6-phenyl-2,3-dihydropyran-4-carboxamide
CID 24822547
(3aR,4S,9bS)-3-amino-1-oxo-4-phenyl-6,7,8,9-tetrahydro-4H-chromeno[3,4-c]pyrrole-3a,9b-dicarbonitrile
CID 97548532
3-Imino-9A-methyl-1-oxo-4-phenyl-2,3,7,8,9,9A-hexahydrochromeno[3,4-C]pyrrole-3A,9B(1H,4H)-dicarbonitrile
CID 110194663
3,3,4-tricyano-8a-iodo-2-phenyloctahydro-2H-chromene-4-carboxamide
CID 110875305
1,3-Dioxo-4-phenyl-2,3,6,7,8,9-hexahydrochromeno[3,4-C]pyrrole-3A,9B(1H,4H)-dicarbonitrile
CID 110875306
3-imino-6,7-dimethyl-1-oxo-4-phenyl-2,3-dihydropyrano[3,4-c]pyrrole-3a,7a(1H,4H)-dicarbonitrile
CID 110875307
(2S,4S)-3,3,4-tricyano-5,6-dimethyl-2-phenyl-2H-pyran-4-carboxamide
CID 132496499

Frequently Asked Questions

What is the IUPAC name of 3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide?
The IUPAC name of 3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide (CID 133064048) is 3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide.
What is the SMILES notation for 3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide?
The canonical SMILES for 3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide is N#CC1(C(N)=O)C2=C(CCCC2)OC(c2ccccc2)C1(C#N)C#N.
What is the InChIKey of 3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide?
The InChIKey is BUQHCOGNILIIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-10-18(11-21)16(13-6-2-1-3-7-13)25-15-9-5-4-8-14(15)19(18,12-22)17(23)24/h1-3,6-7,16H,4-5,8-9H2,(H2,23,24).
What are the key properties of 3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide?
3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-tricyano-2-phenyl-5,6,7,8-tetrahydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 133064048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).