3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one

C15H17N3O4 — CID 82517042

IUPAC3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one
SMILESCOCCn1c(-c2cccc([N+](=O)[O-])c2)ccc(CN)c1=O
InChIInChI=1S/C15H17N3O4/c1-22-8-7-17-14(6-5-12(10-16)15(17)19)11-3-2-4-13(9-11)18(20)21/h2-6,9H,7-8,10,16H2,1H3
InChIKeySCTNEANBKUOBFT-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.53
Rot. Bonds6

About 3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one

3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one (PubChem CID 82517042) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one
PubChem CID82517042
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one
SMILESCOCCn1c(-c2cccc([N+](=O)[O-])c2)ccc(CN)c1=O
InChIInChI=1S/C15H17N3O4/c1-22-8-7-17-14(6-5-12(10-16)15(17)19)11-3-2-4-13(9-11)18(20)21/h2-6,9H,7-8,10,16H2,1H3
InChIKeySCTNEANBKUOBFT-UHFFFAOYSA-N
XLogP1.53
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-butyl-3-(hydroxymethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517056
1-ethyl-3-(methylaminomethyl)-6-(3-nitrophenyl)pyridin-2-one
CID 82517103
6-(3-nitrophenyl)-2-oxo-1-propylpyridine-3-carboxylic acid
CID 82099816
[4,5-dimethoxy-2-(3-nitrophenyl)phenyl]methanamine
CID 61385627
1-ethyl-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
CID 82099228
1-(3-hydroxypropyl)-6-(3-nitrophenyl)-2-oxopyridine-3-carbonitrile
CID 82099234
1-(1-methoxypropan-2-yl)-2-methyl-5-(3-nitrophenyl)pyrrole-3-carboxamide
CID 3799832
[4-[1-(2-methoxyethyl)-5-nitropyrrolo[2,3-b]pyridin-2-yl]phenyl]methanamine
CID 151954847
1-(3-methoxypropyl)-3-(3-nitrophenyl)-1,2,4-triazole
CID 99788506
5-(aminomethyl)-3-(3-nitrophenyl)-1H-pyridazin-6-one
CID 82446437
1-(2-methoxyethyl)-7-(3-nitrophenyl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid
CID 44823626
1-[2-(2-aminoethoxy)ethyl]-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 94751078

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one (CID 82517042) is 3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one is COCCn1c(-c2cccc([N+](=O)[O-])c2)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one?
The InChIKey is SCTNEANBKUOBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-22-8-7-17-14(6-5-12(10-16)15(17)19)11-3-2-4-13(9-11)18(20)21/h2-6,9H,7-8,10,16H2,1H3.
What are the key properties of 3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one?
3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one has a molecular weight of 303.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-methoxyethyl)-6-(3-nitrophenyl)pyridin-2-one is sourced from PubChem (CID 82517042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).