N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride

C13H19ClN4O3 — CID 119477616

IUPACN-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C13H18N4O3.ClH/c1-8-12(6-11(7-15-8)17(19)20)13(18)16-10-4-2-9(14)3-5-10;/h6-7,9-10H,2-5,14H2,1H3,(H,16,18);1H
InChIKeyZUNFALQULJOMAU-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.72
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride (PubChem CID 119477616) has the molecular formula C13H19ClN4O3 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
PubChem CID119477616
Molecular FormulaC13H19ClN4O3
Molecular Weight314.77 g/mol
Exact Mass314.11
IUPAC NameN-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C13H18N4O3.ClH/c1-8-12(6-11(7-15-8)17(19)20)13(18)16-10-4-2-9(14)3-5-10;/h6-7,9-10H,2-5,14H2,1H3,(H,16,18);1H
InChIKeyZUNFALQULJOMAU-UHFFFAOYSA-N
XLogP1.72
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.72
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-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427651
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CID 120532905
2-methyl-N-(2-methylpiperidin-3-yl)-5-nitropyridine-3-carboxamide
CID 120574886
N-(2-amino-1-cyclohexylethyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119591180
N-(4-aminocyclohexyl)-5-methyl-2-nitrobenzamide;hydrochloride
CID 119476368
N-(4-aminocyclohexyl)-2-methyl-3-nitrobenzamide;hydrochloride
CID 119474933
3-cyclopropyl-2-[(2-methyl-5-nitropyridine-3-carbonyl)amino]propanoic acid
CID 120535703
2-amino-N-(3-methylsulfanylcyclopentyl)-5-nitropyridine-3-carboxamide
CID 104589608
N-(4-aminocyclohexyl)-3-methyl-2-nitrobenzamide
CID 62312779
N-(4-aminocyclohexyl)-3-fluoro-5-nitrobenzamide;hydrochloride
CID 119476689
4-N-(5-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591359
5-amino-N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 61039080

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride (CID 119477616) is N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride is Cc1ncc([N+](=O)[O-])cc1C(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride?
The InChIKey is ZUNFALQULJOMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3.ClH/c1-8-12(6-11(7-15-8)17(19)20)13(18)16-10-4-2-9(14)3-5-10;/h6-7,9-10H,2-5,14H2,1H3,(H,16,18);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride has a molecular weight of 314.77 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119477616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).