2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide

C17H16N2O3 — CID 108793239

IUPAC2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3cccnc3)ccc2O1
InChIInChI=1S/C17H16N2O3/c1-17(2)9-14(20)13-8-11(5-6-15(13)22-17)16(21)19-12-4-3-7-18-10-12/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyGJXFERCHRZWBTG-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.08
Rot. Bonds2

About 2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide

2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide (PubChem CID 108793239) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide
PubChem CID108793239
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide
SMILESCC1(C)CC(=O)c2cc(C(=O)Nc3cccnc3)ccc2O1
InChIInChI=1S/C17H16N2O3/c1-17(2)9-14(20)13-8-11(5-6-15(13)22-17)16(21)19-12-4-3-7-18-10-12/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyGJXFERCHRZWBTG-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)pyridine-3-carboxamide
CID 108765324
2,2-dimethyl-4-oxo-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]-3H-chromene-6-carboxamide
CID 108748606
N-(4-iodophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793309
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805246
N-(4-ethylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805240
N-(4-cyanophenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793202
N-(2-acetylphenyl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805235
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108793302
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
4-[(2,2-dimethyl-4-oxo-3H-chromene-6-carbonyl)amino]-3-hydroxybenzoic acid
CID 108744223
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 2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide?
The IUPAC name of 2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide (CID 108793239) is 2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide.
What is the SMILES notation for 2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide?
The canonical SMILES for 2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3cccnc3)ccc2O1.
What is the InChIKey of 2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide?
The InChIKey is GJXFERCHRZWBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-17(2)9-14(20)13-8-11(5-6-15(13)22-17)16(21)19-12-4-3-7-18-10-12/h3-8,10H,9H2,1-2H3,(H,19,21).
What are the key properties of 2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide?
2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxo-N-pyridin-3-yl-3H-chromene-6-carboxamide is sourced from PubChem (CID 108793239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).