2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide

C11H13N5O3 — CID 104589851

IUPAC2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide
SMILESCCN(CCC#N)C(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H13N5O3/c1-2-15(5-3-4-12)11(17)9-6-8(16(18)19)7-14-10(9)13/h6-7H,2-3,5H2,1H3,(H2,13,14)
InChIKeyGSYGVXYEVXLMFG-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.95
Rot. Bonds5

About 2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide

2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide (PubChem CID 104589851) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide
PubChem CID104589851
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide
SMILESCCN(CCC#N)C(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H13N5O3/c1-2-15(5-3-4-12)11(17)9-6-8(16(18)19)7-14-10(9)13/h6-7H,2-3,5H2,1H3,(H2,13,14)
InChIKeyGSYGVXYEVXLMFG-UHFFFAOYSA-N
XLogP0.95
TPSA126.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
CID 104585993
N-(2-cyanoethyl)-N-ethyl-2-methyl-5-nitrobenzamide
CID 54992866
2-amino-N-(2-cyanoethyl)-N-ethylpyridine-3-carboxamide
CID 62161601
2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
4-amino-N-(2-cyanoethyl)-N-ethyl-3-nitrobenzamide
CID 62161602
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 104589382
2-amino-N-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide
CID 104625598
5-amino-N-(2-cyanoethyl)-N-ethylpyrazine-2-carboxamide
CID 107375045
2-amino-N-butyl-N-ethyl-5-nitrobenzamide
CID 62072954
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 102705262
2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide
CID 86790471

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide (CID 104589851) is 2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide is CCN(CCC#N)C(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide?
The InChIKey is GSYGVXYEVXLMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-2-15(5-3-4-12)11(17)9-6-8(16(18)19)7-14-10(9)13/h6-7H,2-3,5H2,1H3,(H2,13,14).
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide?
2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104589851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).