2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide

C11H16N4O3 — CID 114089856

IUPAC2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide
SMILESCCCN(CC)C(=O)c1cc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-3-5-14(4-2)11(16)8-6-10(12)13-7-9(8)15(17)18/h6-7H,3-5H2,1-2H3,(H2,12,13)
InChIKeyIMYUVMHULURHHT-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide

2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide (PubChem CID 114089856) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide
PubChem CID114089856
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide
SMILESCCCN(CC)C(=O)c1cc(N)ncc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-3-5-14(4-2)11(16)8-6-10(12)13-7-9(8)15(17)18/h6-7H,3-5H2,1-2H3,(H2,12,13)
InChIKeyIMYUVMHULURHHT-UHFFFAOYSA-N
XLogP1.44
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
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-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide
CID 114230892
2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-nitropyridine-4-carboxamide
CID 103855583
2-amino-5-nitropyridine-4-carboxamide
CID 19034952
2-amino-5-nitropyridine-4-carboxylate
CID 71302450
N-ethyl-5-(ethylamino)-2-nitro-N-propylbenzamide
CID 62169452
N-ethyl-4-hydrazinyl-2-methyl-5-nitro-N-propylbenzamide
CID 114271694
2-amino-N-(2-methylsulfanylethyl)-5-nitropyridine-4-carboxamide
CID 114090110
6-amino-N-ethyl-N-propylpyridine-3-carboxamide
CID 62153905
5-amino-N-ethyl-N-(2-methoxyethyl)-2-nitrobenzamide
CID 62162116
3-amino-N-ethyl-5-nitro-N-propylbenzamide
CID 143923071
2-amino-N,N-diethyl-3,5-dinitrobenzamide
CID 2832206

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide (CID 114089856) is 2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide is CCCN(CC)C(=O)c1cc(N)ncc1[N+](=O)[O-].
What is the InChIKey of 2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide?
The InChIKey is IMYUVMHULURHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-3-5-14(4-2)11(16)8-6-10(12)13-7-9(8)15(17)18/h6-7H,3-5H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide?
2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 114089856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).