2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide

C11H16N4O3 — CID 104589876

IUPAC2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
SMILESCCC(C)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H16N4O3/c1-4-7(2)14(3)11(16)9-5-8(15(17)18)6-13-10(9)12/h5-7H,4H2,1-3H3,(H2,12,13)
InChIKeyHQRZCCUWYPPXMX-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.44
Rot. Bonds4

About 2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide

2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide (PubChem CID 104589876) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
PubChem CID104589876
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
SMILESCCC(C)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C11H16N4O3/c1-4-7(2)14(3)11(16)9-5-8(15(17)18)6-13-10(9)12/h5-7H,4H2,1-3H3,(H2,12,13)
InChIKeyHQRZCCUWYPPXMX-UHFFFAOYSA-N
XLogP1.44
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-butan-2-yl-N-butyl-5-nitropyridine-3-carboxamide
CID 104625598
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide
CID 119583999
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
2-amino-N-cyclopropyl-N-(3-methylbutyl)-5-nitropyridine-3-carboxamide
CID 104593364
N-butan-2-yl-2,3-dichloro-N-methyl-5-nitrobenzamide
CID 107187433
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 104589382
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-(2-cyanoethyl)-N-ethyl-5-nitropyridine-3-carboxamide
CID 104589851
2-amino-N-methyl-N-[(4-methylcyclohexyl)methyl]-5-nitropyridine-3-carboxamide
CID 86790471
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide (CID 104589876) is 2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide is CCC(C)N(C)C(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide?
The InChIKey is HQRZCCUWYPPXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-4-7(2)14(3)11(16)9-5-8(15(17)18)6-13-10(9)12/h5-7H,4H2,1-3H3,(H2,12,13).
What are the key properties of 2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide?
2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104589876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).