6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide

C19H16N2O3 — CID 54719680

IUPAC6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide
SMILESCC1(C)Oc2ccc(C#N)cc2C(C(=O)Nc2ccccc2)=C1O
InChIInChI=1S/C19H16N2O3/c1-19(2)17(22)16(18(23)21-13-6-4-3-5-7-13)14-10-12(11-20)8-9-15(14)24-19/h3-10,22H,1-2H3,(H,21,23)
InChIKeyARBHJUUQIPEJGX-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.64
Rot. Bonds2

About 6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide

6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide (PubChem CID 54719680) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide.

Molecular Properties

Compound Name6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide
PubChem CID54719680
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide
SMILESCC1(C)Oc2ccc(C#N)cc2C(C(=O)Nc2ccccc2)=C1O
InChIInChI=1S/C19H16N2O3/c1-19(2)17(22)16(18(23)21-13-6-4-3-5-7-13)14-10-12(11-20)8-9-15(14)24-19/h3-10,22H,1-2H3,(H,21,23)
InChIKeyARBHJUUQIPEJGX-UHFFFAOYSA-N
XLogP3.64
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide?
The IUPAC name of 6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide (CID 54719680) is 6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide.
What is the SMILES notation for 6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide?
The canonical SMILES for 6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide is CC1(C)Oc2ccc(C#N)cc2C(C(=O)Nc2ccccc2)=C1O.
What is the InChIKey of 6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide?
The InChIKey is ARBHJUUQIPEJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-19(2)17(22)16(18(23)21-13-6-4-3-5-7-13)14-10-12(11-20)8-9-15(14)24-19/h3-10,22H,1-2H3,(H,21,23).
What are the key properties of 6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide?
6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-3-hydroxy-2,2-dimethyl-N-phenylchromene-4-carboxamide is sourced from PubChem (CID 54719680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).