N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide

C11H16N4O3 — CID 114047907

IUPACN-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide
SMILESCNc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)C
InChIInChI=1S/C11H16N4O3/c1-11(2,3)14-10(16)8-5-7(15(17)18)6-13-9(8)12-4/h5-6H,1-4H3,(H,12,13)(H,14,16)
InChIKeyUOEDKKOHMPWPMY-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.56
Rot. Bonds3

About N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide

N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide (PubChem CID 114047907) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide
PubChem CID114047907
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide
SMILESCNc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)C
InChIInChI=1S/C11H16N4O3/c1-11(2,3)14-10(16)8-5-7(15(17)18)6-13-9(8)12-4/h5-6H,1-4H3,(H,12,13)(H,14,16)
InChIKeyUOEDKKOHMPWPMY-UHFFFAOYSA-N
XLogP1.56
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.56
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-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide
CID 106342495
2-(ethylamino)-5-nitropyridine-3-carboxylic acid
CID 82470807
2-(3,3-dimethylbutan-2-ylamino)-5-nitropyridine-3-carboxylic acid
CID 114046842
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
3-methoxy-N-methyl-5-nitropyridin-2-amine
CID 90022055
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 119607906
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 119599446
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
2-[2-(dimethylamino)ethylamino]-5-nitropyridine-3-carboxylic acid
CID 98016555
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide (CID 114047907) is N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide is CNc1ncc([N+](=O)[O-])cc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide?
The InChIKey is UOEDKKOHMPWPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(2,3)14-10(16)8-5-7(15(17)18)6-13-9(8)12-4/h5-6H,1-4H3,(H,12,13)(H,14,16).
What are the key properties of N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide?
N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 114047907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).