(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one

C11H14N4O3 — CID 95904705

IUPAC(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
SMILESCc1cc(N[C@@H]2CCC(=O)NC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-7-4-10(12-6-9(7)15(17)18)14-8-2-3-11(16)13-5-8/h4,6,8H,2-3,5H2,1H3,(H,12,14)(H,13,16)/t8-/m1/s1
InChIKeyRDNNQVARKZQRAX-MRVPVSSYSA-N
MW250.26 g/mol
LogP0.99
Rot. Bonds3

About (5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one

(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one (PubChem CID 95904705) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is (5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
PubChem CID95904705
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
SMILESCc1cc(N[C@@H]2CCC(=O)NC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H14N4O3/c1-7-4-10(12-6-9(7)15(17)18)14-8-2-3-11(16)13-5-8/h4,6,8H,2-3,5H2,1H3,(H,12,14)(H,13,16)/t8-/m1/s1
InChIKeyRDNNQVARKZQRAX-MRVPVSSYSA-N
XLogP0.99
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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

N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
CID 79177090
9-methyl-N-(4-methyl-5-nitro-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79165263
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 79173963
5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 63318938
5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one
CID 80834232
5-(5-bromo-2-nitroanilino)piperidin-2-one
CID 65343295
5-[(5-methylpyrimidin-2-yl)amino]piperidin-2-one
CID 63663569
3-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 133339717
3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide
CID 75455179
5-[[6-(ethylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80834672
4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine
CID 103718501
4-methyl-5-nitro-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 133343060

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one?
The IUPAC name of (5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one (CID 95904705) is (5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one.
What is the SMILES notation for (5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one?
The canonical SMILES for (5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one is Cc1cc(N[C@@H]2CCC(=O)NC2)ncc1[N+](=O)[O-].
What is the InChIKey of (5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one?
The InChIKey is RDNNQVARKZQRAX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-7-4-10(12-6-9(7)15(17)18)14-8-2-3-11(16)13-5-8/h4,6,8H,2-3,5H2,1H3,(H,12,14)(H,13,16)/t8-/m1/s1.
What are the key properties of (5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one?
(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one has a molecular weight of 250.26 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one is sourced from PubChem (CID 95904705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).