N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide

C11H16N4O3 — CID 103823304

IUPACN,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-11(2,10(16)12-3)7-14-8-5-4-6-13-9(8)15(17)18/h4-6,14H,7H2,1-3H3,(H,12,16)
InChIKeyVIOHGVMUOUTBKH-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.17
Rot. Bonds5

About N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide

N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide (PubChem CID 103823304) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide
PubChem CID103823304
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-11(2,10(16)12-3)7-14-8-5-4-6-13-9(8)15(17)18/h4-6,14H,7H2,1-3H3,(H,12,16)
InChIKeyVIOHGVMUOUTBKH-UHFFFAOYSA-N
XLogP1.17
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.17
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

2,4-dimethyl-1-[(2-nitro-3-pyridinyl)amino]pentan-2-ol
CID 113424897
N-methyl-2-nitropyridin-3-amine
CID 555983
2-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridin-3-amine
CID 106293612
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 113278138
3-[(3-methoxy-2-pyridinyl)amino]-N,2,2-trimethylpropanamide
CID 114167524
2-[(2-nitro-3-pyridinyl)amino]-N-propylacetamide
CID 112685108
N,2,2-trimethyl-3-[[6-(methylamino)-5-nitropyrimidin-4-yl]amino]propanamide
CID 103823303
1,1,1-trifluoro-3-[(2-nitro-3-pyridinyl)amino]propan-2-ol
CID 113224700
3-[(8-aminoquinolin-5-yl)amino]-N,2,2-trimethylpropanamide
CID 106275334
3-[(2-nitro-3-pyridinyl)amino]propane-1,2-diol
CID 115871237
2-N,2-N-dimethyl-1-N-(2-nitro-3-pyridinyl)propane-1,2-diamine
CID 115586001
N-(2,2-dimethoxyethyl)-2-nitropyridin-3-amine
CID 107390155

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide (CID 103823304) is N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide is CNC(=O)C(C)(C)CNc1cccnc1[N+](=O)[O-].
What is the InChIKey of N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide?
The InChIKey is VIOHGVMUOUTBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(2,10(16)12-3)7-14-8-5-4-6-13-9(8)15(17)18/h4-6,14H,7H2,1-3H3,(H,12,16).
What are the key properties of N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide?
N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide has a molecular weight of 252.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(2-nitro-3-pyridinyl)amino]propanamide is sourced from PubChem (CID 103823304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).