4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one

C11H14N4O3 — CID 168659758

IUPAC4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(CN)CC2=O)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-7-2-10(13-5-9(7)15(17)18)14-6-8(4-12)3-11(14)16/h2,5,8H,3-4,6,12H2,1H3
InChIKeyVWJXWIDMDMDSEU-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.61
Rot. Bonds3

About 4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one

4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one (PubChem CID 168659758) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
PubChem CID168659758
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one
SMILESCc1cc(N2CC(CN)CC2=O)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-7-2-10(13-5-9(7)15(17)18)14-6-8(4-12)3-11(14)16/h2,5,8H,3-4,6,12H2,1H3
InChIKeyVWJXWIDMDMDSEU-UHFFFAOYSA-N
XLogP0.61
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.61
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

4-(aminomethyl)-1-(2,5-dimethyl-4-nitrophenyl)pyrrolidin-2-one
CID 168659978
[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79177007
[4-ethyl-1-(4-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103353516
4-(aminomethyl)-1-(2-bromo-4-methyl-6-nitrophenyl)pyrrolidin-2-one
CID 168659834
4-(chloromethyl)-1-(5-methyl-3-nitro-2-pyridinyl)pyrrolidin-2-one
CID 168507973
7-(4-methyl-5-nitro-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 59316236
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 168661169
4-(bromomethyl)-1-(3-methyl-4-nitrophenyl)pyrrolidin-2-one
CID 168504409
4-(aminomethyl)-1-(2-bromo-6-nitrophenyl)pyrrolidin-2-one
CID 168660554
4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-nitrobenzonitrile
CID 168660799
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 79176830
4-amino-1-(5-iodo-4-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168699714

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one (CID 168659758) is 4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one is Cc1cc(N2CC(CN)CC2=O)ncc1[N+](=O)[O-].
What is the InChIKey of 4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is VWJXWIDMDMDSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-2-10(13-5-9(7)15(17)18)14-6-8(4-12)3-11(14)16/h2,5,8H,3-4,6,12H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 250.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168659758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).