N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

C19H16N2O3 — CID 108793202

IUPACN-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccc(C#N)cc3)ccc2O1
InChIInChI=1S/C19H16N2O3/c1-19(2)10-16(22)15-9-13(5-8-17(15)24-19)18(23)21-14-6-3-12(11-20)4-7-14/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyICIMXPPKINYJFM-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.55
Rot. Bonds2

About N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide

N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (PubChem CID 108793202) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
PubChem CID108793202
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3ccc(C#N)cc3)ccc2O1
InChIInChI=1S/C19H16N2O3/c1-19(2)10-16(22)15-9-13(5-8-17(15)24-19)18(23)21-14-6-3-12(11-20)4-7-14/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyICIMXPPKINYJFM-UHFFFAOYSA-N
XLogP3.55
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793309
N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805240
N-(4-ethoxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793188
3-[[4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]benzoyl]amino]propanoic acid
CID 108805234
N-[4-(acetylsulfamoyl)phenyl]-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793317
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805246
2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide
CID 108793239
N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805235
4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybenzoic acid
CID 108744223
2,2-dimethyl-4-oxo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
CID 108727448
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793302
2,2-dimethyl-4-oxo-N-[4-[(6-phenylpyrimidin-4-yl)amino]phenyl]-3H-chromene-6-carboxamide
CID 108744668

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide (CID 108793202) is N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(C#N)cc3)ccc2O1.
What is the InChIKey of N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
The InChIKey is ICIMXPPKINYJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-19(2)10-16(22)15-9-13(5-8-17(15)24-19)18(23)21-14-6-3-12(11-20)4-7-14/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide?
N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide is sourced from PubChem (CID 108793202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).