2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide

C13H18N4O3 — CID 120574886

IUPAC2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NC1CCCNC1C
InChIInChI=1S/C13H18N4O3/c1-8-11(6-10(7-15-8)17(19)20)13(18)16-12-4-3-5-14-9(12)2/h6-7,9,12,14H,3-5H2,1-2H3,(H,16,18)
InChIKeyIORQIQZVQIIOJI-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.17
Rot. Bonds3

About 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide

2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide (PubChem CID 120574886) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide
PubChem CID120574886
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NC1CCCNC1C
InChIInChI=1S/C13H18N4O3/c1-8-11(6-10(7-15-8)17(19)20)13(18)16-12-4-3-5-14-9(12)2/h6-7,9,12,14H,3-5H2,1-2H3,(H,16,18)
InChIKeyIORQIQZVQIIOJI-UHFFFAOYSA-N
XLogP1.17
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.17
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

2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]cyclooctane-1-carboxylic acid
CID 120532905
2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427651
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide;hydrochloride
CID 120577307
2-methyl-N-(2-methylpiperidin-3-yl)-4-nitrobenzamide
CID 114694987
2-bromo-N-(2-methylpiperidin-3-yl)-5-nitrobenzamide
CID 114694983
N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119477616
N-(2-methylpiperidin-3-yl)-2-(4-nitropyrazol-1-yl)acetamide
CID 120575393
4-amino-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120576187
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
1-(2,6-dichloro-4-nitrophenyl)-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide
CID 120573386
N-(2-amino-1-cyclohexylethyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119591180
7-fluoro-2-methyl-N-(2-methylpiperidin-3-yl)quinoline-3-carboxamide
CID 120575715

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide (CID 120574886) is 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide is Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCCNC1C.
What is the InChIKey of 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide?
The InChIKey is IORQIQZVQIIOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8-11(6-10(7-15-8)17(19)20)13(18)16-12-4-3-5-14-9(12)2/h6-7,9,12,14H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide?
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 120574886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).