N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide

C19H17F3N2O4 — CID 10135235

IUPACN-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C
InChIInChI=1S/C19H17F3N2O4/c1-11(25)24(27)17-16(23-9-5-4-6-15(23)26)13-10-12(19(20,21)22)7-8-14(13)28-18(17,2)3/h4-10,27H,1-3H3
InChIKeyGHSMALFHFOEIHB-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.49
Rot. Bonds2

About N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide

N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide (PubChem CID 10135235) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide.

Molecular Properties

Compound NameN-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide
PubChem CID10135235
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC NameN-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide
SMILESCC(=O)N(O)C1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C
InChIInChI=1S/C19H17F3N2O4/c1-11(25)24(27)17-16(23-9-5-4-6-15(23)26)13-10-12(19(20,21)22)7-8-14(13)28-18(17,2)3/h4-10,27H,1-3H3
InChIKeyGHSMALFHFOEIHB-UHFFFAOYSA-N
XLogP3.49
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-4-yl]pyridin-2-one
CID 19386931
N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide
CID 19387024
methyl N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]carbamate
CID 19387224
1-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-3-ethylurea
CID 19387245
2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14518004
N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide
CID 19880340
methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate
CID 22122789
1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one
CID 19387264
1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
CID 150989183
1-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-nitrochromen-4-yl]pyridin-2-one
CID 19387039
N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide
CID 19386875
3-[[ethyl(hydroxy)amino]methyl]-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
CID 19386937

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide?
The IUPAC name of N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide (CID 10135235) is N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide.
What is the SMILES notation for N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide?
The canonical SMILES for N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide is CC(=O)N(O)C1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C.
What is the InChIKey of N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide?
The InChIKey is GHSMALFHFOEIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-11(25)24(27)17-16(23-9-5-4-6-15(23)26)13-10-12(19(20,21)22)7-8-14(13)28-18(17,2)3/h4-10,27H,1-3H3.
What are the key properties of N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide?
N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide has a molecular weight of 394.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(trifluoromethyl)chromen-3-yl]-N-hydroxyacetamide is sourced from PubChem (CID 10135235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).