5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one

C11H13ClN4O3 — CID 64669439

IUPAC5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(Cl)ccc2[N+](=O)[O-])CCC1=O
InChIInChI=1S/C11H13ClN4O3/c1-15-6-7(2-5-10(15)17)13-11-8(16(18)19)3-4-9(12)14-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyAJHPIPDNHVFXTE-UHFFFAOYSA-N
MW284.70 g/mol
LogP1.68
Rot. Bonds3

About 5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one

5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one (PubChem CID 64669439) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
PubChem CID64669439
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(Cl)ccc2[N+](=O)[O-])CCC1=O
InChIInChI=1S/C11H13ClN4O3/c1-15-6-7(2-5-10(15)17)13-11-8(16(18)19)3-4-9(12)14-11/h3-4,7H,2,5-6H2,1H3,(H,13,14)
InChIKeyAJHPIPDNHVFXTE-UHFFFAOYSA-N
XLogP1.68
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 80915009
6-chloro-N-cyclohexyl-3-nitropyridin-2-amine
CID 43152693
1-methyl-5-(4-methyl-2-nitroanilino)piperidin-2-one
CID 64667803
2-chloro-N-(1-methyl-6-oxopiperidin-3-yl)-5-nitropyridine-4-carboxamide
CID 103733913
5-[(3,5-dichloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64667801
5-[(3-chloro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64669595
5-(3-ethoxy-4-nitroanilino)-1-methylpiperidin-2-one
CID 64667397
2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]cyclohexyl]acetonitrile
CID 163206956
2-[4-[(6-chloro-3-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 106193246
5-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]-1-methylpiperidin-2-one
CID 80826875
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide
CID 64669798
5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669042

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one (CID 64669439) is 5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one is CN1CC(Nc2nc(Cl)ccc2[N+](=O)[O-])CCC1=O.
What is the InChIKey of 5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The InChIKey is AJHPIPDNHVFXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c1-15-6-7(2-5-10(15)17)13-11-8(16(18)19)3-4-9(12)14-11/h3-4,7H,2,5-6H2,1H3,(H,13,14).
What are the key properties of 5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one has a molecular weight of 284.70 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64669439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).