3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide

C12H17N5O3 — CID 75455179

IUPAC3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide
SMILESCc1cc(NC2CCCN(C(N)=O)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H17N5O3/c1-8-5-11(14-6-10(8)17(19)20)15-9-3-2-4-16(7-9)12(13)18/h5-6,9H,2-4,7H2,1H3,(H2,13,18)(H,14,15)
InChIKeyHYUITSKVGCHMOU-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.25
Rot. Bonds3

About 3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide

3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide (PubChem CID 75455179) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide
PubChem CID75455179
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide
SMILESCc1cc(NC2CCCN(C(N)=O)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H17N5O3/c1-8-5-11(14-6-10(8)17(19)20)15-9-3-2-4-16(7-9)12(13)18/h5-6,9H,2-4,7H2,1H3,(H2,13,18)(H,14,15)
InChIKeyHYUITSKVGCHMOU-UHFFFAOYSA-N
XLogP1.25
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.25
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'}

Analyze 3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-N-(4-methyl-5-nitro-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79165263
4-methyl-5-nitro-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-2-amine
CID 133343060
3-methoxy-1-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]propan-1-one
CID 133376904
3-[(4-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 133339717
N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
CID 79177090
4-methyl-5-nitro-N-(4-propylcyclohexyl)pyridin-2-amine
CID 79173963
1-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 82763428
(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
CID 95904705
4-methyl-N-(2-methylsulfanylcyclohexyl)-5-nitropyridin-2-amine
CID 103718501
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 79176232
2-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]cyclopentan-1-ol
CID 79176047
1-(4-acetylpiperazin-1-yl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]propan-1-one
CID 133329825

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide?
The IUPAC name of 3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide (CID 75455179) is 3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for 3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide?
The canonical SMILES for 3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide is Cc1cc(NC2CCCN(C(N)=O)C2)ncc1[N+](=O)[O-].
What is the InChIKey of 3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide?
The InChIKey is HYUITSKVGCHMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c1-8-5-11(14-6-10(8)17(19)20)15-9-3-2-4-16(7-9)12(13)18/h5-6,9H,2-4,7H2,1H3,(H2,13,18)(H,14,15).
What are the key properties of 3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide?
3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 75455179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).