2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide

C10H11N5O3 — CID 82813128

IUPAC2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide
SMILESCC(C)(Nc1nccc(C#N)c1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C10H11N5O3/c1-10(2,9(12)16)14-8-7(15(17)18)6(5-11)3-4-13-8/h3-4H,1-2H3,(H2,12,16)(H,13,14)
InChIKeyQKNGFULHCLUTKW-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.54
Rot. Bonds4

About 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide

2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide (PubChem CID 82813128) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide
PubChem CID82813128
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC Name2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide
SMILESCC(C)(Nc1nccc(C#N)c1[N+](=O)[O-])C(N)=O
InChIInChI=1S/C10H11N5O3/c1-10(2,9(12)16)14-8-7(15(17)18)6(5-11)3-4-13-8/h3-4H,1-2H3,(H2,12,16)(H,13,14)
InChIKeyQKNGFULHCLUTKW-UHFFFAOYSA-N
XLogP0.54
TPSA134.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.54
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'}

Analyze 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-cyano-3-nitro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 82812903
5-[(4-cyano-3-nitro-2-pyridinyl)amino]pentanamide
CID 106238915
3-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170893
2-[(2-methoxy-2-methylpropyl)amino]-3-nitropyridine-4-carbonitrile
CID 113257425
2-[(2,2-difluoro-3-hydroxypropyl)amino]-3-nitropyridine-4-carbonitrile
CID 104858403
2-[(2-hydroxy-2,4-dimethylpentyl)amino]-3-nitropyridine-4-carbonitrile
CID 82813746
3-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methoxypropanoic acid
CID 106108642
2-[(3-methyl-2-propan-2-ylbutyl)amino]-3-nitropyridine-4-carbonitrile
CID 102914019
3-nitro-2-(pent-4-ynylamino)pyridine-4-carbonitrile
CID 113257427
2-(1-hydroxypropan-2-ylamino)-3-nitropyridine-4-carbonitrile
CID 82813436
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-nitropyridine-4-carbonitrile
CID 80718459
3-[(4-cyano-3-nitro-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 115697003

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide (CID 82813128) is 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide is CC(C)(Nc1nccc(C#N)c1[N+](=O)[O-])C(N)=O.
What is the InChIKey of 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide?
The InChIKey is QKNGFULHCLUTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-10(2,9(12)16)14-8-7(15(17)18)6(5-11)3-4-13-8/h3-4H,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide?
2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide has a molecular weight of 249.23 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-3-nitro-2-pyridinyl)amino]-2-methylpropanamide is sourced from PubChem (CID 82813128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).