4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one

C14H15N3O3 — CID 107351884

IUPAC4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one
SMILESCNc1c(Cn2ccc(C)cc2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3/c1-10-6-7-16(13(18)8-10)9-11-4-3-5-12(17(19)20)14(11)15-2/h3-8,15H,9H2,1-2H3
InChIKeyFZFRSIIBIRQZAD-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.15
Rot. Bonds4

About 4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one

4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one (PubChem CID 107351884) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one
PubChem CID107351884
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one
SMILESCNc1c(Cn2ccc(C)cc2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3/c1-10-6-7-16(13(18)8-10)9-11-4-3-5-12(17(19)20)14(11)15-2/h3-8,15H,9H2,1-2H3
InChIKeyFZFRSIIBIRQZAD-UHFFFAOYSA-N
XLogP2.15
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyrimidin-2-one
CID 107351893
4-methyl-1-[[2-(methylamino)-5-nitrophenyl]methyl]pyridin-2-one
CID 62963611
2-[(2-ethylimidazol-1-yl)methyl]-N-methyl-6-nitroaniline
CID 107351853
4,6-dimethyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyrimidin-2-one
CID 107351704
N-methyl-2-[(3-methylphenoxy)methyl]-6-nitroaniline
CID 107352140
2-(1,3-dihydroisoindol-2-ylmethyl)-N-methyl-6-nitroaniline
CID 107351228
4-methyl-1-[(5-nitrofuran-2-yl)methyl]pyridin-2-one
CID 116622628
N-methyl-2-nitro-6-[(4-nitroimidazol-1-yl)methyl]aniline
CID 107351765
1-[[2-(methylamino)-3-nitrophenyl]methyl]azocan-2-one
CID 107351752
1-[(2-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962115
1-[[2-(3-aminoprop-1-ynyl)phenyl]methyl]-4-methylpyridin-2-one
CID 62962137
2-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-N-methyl-6-nitroaniline
CID 107351674

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one (CID 107351884) is 4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one is CNc1c(Cn2ccc(C)cc2=O)cccc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one?
The InChIKey is FZFRSIIBIRQZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-6-7-16(13(18)8-10)9-11-4-3-5-12(17(19)20)14(11)15-2/h3-8,15H,9H2,1-2H3.
What are the key properties of 4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one?
4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one has a molecular weight of 273.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(methylamino)-3-nitrophenyl]methyl]pyridin-2-one is sourced from PubChem (CID 107351884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).