1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one

C19H21N3O5 — CID 152570674

IUPAC1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one
SMILESCON(C)C1=C(n2ccccc2=O)c2c(ccc([N+](=O)[O-])c2C)OC1(C)C
InChIInChI=1S/C19H21N3O5/c1-12-13(22(24)25)9-10-14-16(12)17(21-11-7-6-8-15(21)23)18(20(4)26-5)19(2,3)27-14/h6-11H,1-5H3
InChIKeyYRKKHKKUNRJXPT-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.95
Rot. Bonds4

About 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one

1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one (PubChem CID 152570674) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one
PubChem CID152570674
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one
SMILESCON(C)C1=C(n2ccccc2=O)c2c(ccc([N+](=O)[O-])c2C)OC1(C)C
InChIInChI=1S/C19H21N3O5/c1-12-13(22(24)25)9-10-14-16(12)17(21-11-7-6-8-15(21)23)18(20(4)26-5)19(2,3)27-14/h6-11H,1-5H3
InChIKeyYRKKHKKUNRJXPT-UHFFFAOYSA-N
XLogP2.95
TPSA86.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
CID 150989183
N-[2,2,5-trimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]acetamide
CID 142637660
N-methyl-N-[2,2,5-trimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]formamide
CID 154363273
1-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-nitrochromen-4-yl]pyridin-2-one
CID 19387039
2-[3-(ethoxyamino)-2,2,5-trimethyl-6-nitrochromen-4-yl]-3H-isoindol-1-one
CID 150800651
1-methyl-3-[2,2,5-trimethyl-6-nitro-4-(3-oxo-1H-isoindol-2-yl)chromen-3-yl]thiourea
CID 150903818
methyl 2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxylate
CID 22122789
3-nitro-1-(2,2,3-trimethyl-6-nitrochromen-4-yl)pyridin-2-one
CID 22122698
N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide
CID 19386875
2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14518004
1-(2,6-dimethyl-4-nitrophenyl)pyridin-2-one
CID 174684212
1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one
CID 19888514

Frequently Asked Questions

What is the IUPAC name of 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one?
The IUPAC name of 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one (CID 152570674) is 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one?
The canonical SMILES for 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one is CON(C)C1=C(n2ccccc2=O)c2c(ccc([N+](=O)[O-])c2C)OC1(C)C.
What is the InChIKey of 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one?
The InChIKey is YRKKHKKUNRJXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12-13(22(24)25)9-10-14-16(12)17(21-11-7-6-8-15(21)23)18(20(4)26-5)19(2,3)27-14/h6-11H,1-5H3.
What are the key properties of 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one?
1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one has a molecular weight of 371.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-nitrochromen-4-yl]pyridin-2-one is sourced from PubChem (CID 152570674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).