2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide

C11H17N5O3 — CID 104589382

IUPAC2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
SMILESCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H17N5O3/c1-3-15(2)5-4-13-11(17)9-6-8(16(18)19)7-14-10(9)12/h6-7H,3-5H2,1-2H3,(H2,12,14)(H,13,17)
InChIKeyNRKOTAQFZZDOIW-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.25
Rot. Bonds6

About 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide

2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide (PubChem CID 104589382) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
PubChem CID104589382
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
SMILESCCN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H17N5O3/c1-3-15(2)5-4-13-11(17)9-6-8(16(18)19)7-14-10(9)12/h6-7H,3-5H2,1-2H3,(H2,12,14)(H,13,17)
InChIKeyNRKOTAQFZZDOIW-UHFFFAOYSA-N
XLogP0.25
TPSA114.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.25
H-Bond Donors ≤ 52
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-(2-ethylsulfinylethyl)-5-nitropyridine-3-carboxamide
CID 104589277
2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide
CID 104586620
2-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
CID 113429986
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 104600910
2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 104599367
2-amino-N-[4-(dimethylamino)butan-2-yl]-5-nitropyridine-3-carboxamide
CID 104589638
2-amino-N-ethyl-N-(2-methoxyethyl)-5-nitropyridine-3-carboxamide
CID 104585993
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide
CID 107299437
2-amino-N-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide
CID 104589851

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide (CID 104589382) is 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide is CCN(C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide?
The InChIKey is NRKOTAQFZZDOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-3-15(2)5-4-13-11(17)9-6-8(16(18)19)7-14-10(9)12/h6-7H,3-5H2,1-2H3,(H2,12,14)(H,13,17).
What are the key properties of 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide?
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104589382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).