2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide

C14H20N4O3 — CID 104589465

IUPAC2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide
SMILESCC(NC(=O)c1cc([N+](=O)[O-])cnc1N)C1CCCCC1
InChIInChI=1S/C14H20N4O3/c1-9(10-5-3-2-4-6-10)17-14(19)12-7-11(18(20)21)8-16-13(12)15/h7-10H,2-6H2,1H3,(H2,15,16)(H,17,19)
InChIKeyKPKDJNJUZOLNBF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.27
Rot. Bonds4

About 2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide

2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide (PubChem CID 104589465) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide
PubChem CID104589465
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide
SMILESCC(NC(=O)c1cc([N+](=O)[O-])cnc1N)C1CCCCC1
InChIInChI=1S/C14H20N4O3/c1-9(10-5-3-2-4-6-10)17-14(19)12-7-11(18(20)21)8-16-13(12)15/h7-10H,2-6H2,1H3,(H2,15,16)(H,17,19)
InChIKeyKPKDJNJUZOLNBF-UHFFFAOYSA-N
XLogP2.27
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.27
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-amino-N-(1-cyclobutylethyl)-5-nitropyridine-3-carboxamide
CID 104599380
2-amino-N-(1-cyclopropylethyl)-5-nitropyridine-3-carboxamide
CID 113373704
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2-amino-N-(4-methoxybutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104587721
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377
N-(2-amino-1-cyclohexylethyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119591180
2-amino-N-(4-methylsulfanylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104589434
2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
CID 104589638
2-amino-N-(1-ethylsulfanylpropan-2-yl)-5-nitropyridine-3-carboxamide
CID 104589699
2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 104589791
N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide
CID 47113861
2-amino-5-nitro-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 104599368

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide (CID 104589465) is 2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide is CC(NC(=O)c1cc([N+](=O)[O-])cnc1N)C1CCCCC1.
What is the InChIKey of 2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide?
The InChIKey is KPKDJNJUZOLNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9(10-5-3-2-4-6-10)17-14(19)12-7-11(18(20)21)8-16-13(12)15/h7-10H,2-6H2,1H3,(H2,15,16)(H,17,19).
What are the key properties of 2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide?
2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclohexylethyl)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104589465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).