5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one

C11H14N4O3 — CID 66279832

IUPAC5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
SMILESCc1cnc(NCC2CCC(=O)N2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N4O3/c1-7-4-9(15(17)18)11(12-5-7)13-6-8-2-3-10(16)14-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,14,16)
InChIKeyGKCHOSKFMIAGMH-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.99
Rot. Bonds4

About 5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one

5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one (PubChem CID 66279832) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
PubChem CID66279832
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
SMILESCc1cnc(NCC2CCC(=O)N2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N4O3/c1-7-4-9(15(17)18)11(12-5-7)13-6-8-2-3-10(16)14-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,14,16)
InChIKeyGKCHOSKFMIAGMH-UHFFFAOYSA-N
XLogP0.99
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
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-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 66280499
N-cyclopropyl-5-methyl-3-nitropyridin-2-amine
CID 46738807
N-cyclopropyl-N'-(5-methyl-3-nitro-2-pyridinyl)propane-1,3-diamine
CID 66278299
5-[[[3-nitro-6-(propylamino)-2-pyridinyl]amino]methyl]pyrrolidin-2-one
CID 80823724
2-[(5-methyl-3-nitro-2-pyridinyl)amino]ethanol
CID 65439508
5-methyl-3-nitro-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 66278945
1-N-(5-methyl-3-nitro-2-pyridinyl)propane-1,2-diamine
CID 66279622
5-methyl-N-(3-methyl-2-propan-2-ylbutyl)-3-nitropyridin-2-amine
CID 102913909
5-[[(2-chloro-5-methylpyrimidin-4-yl)amino]methyl]pyrrolidin-2-one
CID 79073907
5-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 104924301
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-methyl-3-nitropyridin-2-amine
CID 79035479
5-bromo-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542196

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one (CID 66279832) is 5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one is Cc1cnc(NCC2CCC(=O)N2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is GKCHOSKFMIAGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-4-9(15(17)18)11(12-5-7)13-6-8-2-3-10(16)14-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)(H,14,16).
What are the key properties of 5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one?
5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 250.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methyl-3-nitro-2-pyridinyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 66279832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).