2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide

C10H15N5O3 — CID 114176414

IUPAC2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ccc([N+](=O)[O-])c(N)n1)C(N)=O
InChIInChI=1S/C10H15N5O3/c1-5(2)8(10(12)16)13-7-4-3-6(15(17)18)9(11)14-7/h3-5,8H,1-2H3,(H2,12,16)(H3,11,13,14)
InChIKeyUSDSZGMAQWPMOW-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.49
Rot. Bonds5

About 2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide

2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide (PubChem CID 114176414) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
PubChem CID114176414
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)C(Nc1ccc([N+](=O)[O-])c(N)n1)C(N)=O
InChIInChI=1S/C10H15N5O3/c1-5(2)8(10(12)16)13-7-4-3-6(15(17)18)9(11)14-7/h3-5,8H,1-2H3,(H2,12,16)(H3,11,13,14)
InChIKeyUSDSZGMAQWPMOW-UHFFFAOYSA-N
XLogP0.49
TPSA137.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.49
H-Bond Donors ≤ 53
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-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide 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

3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide
CID 106347453
2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide
CID 106347523
2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79827629
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methylpentanoate
CID 79826081
6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 106345803
4-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81066215
6-N-(1-methylsulfanylbutan-2-yl)-3-nitropyridine-2,6-diamine
CID 113494870
6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine
CID 79815469
3-methyl-2-(2-nitroanilino)butanamide
CID 75429977
(2R)-3-methyl-2-(5-methyl-2-nitroanilino)butanamide
CID 97327394
6-N-heptan-2-yl-3-nitropyridine-2,6-diamine
CID 79825693
6-N-(1-cyclohexylethyl)-3-nitropyridine-2,6-diamine
CID 79816301

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide?
The IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide (CID 114176414) is 2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide.
What is the SMILES notation for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide?
The canonical SMILES for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide is CC(C)C(Nc1ccc([N+](=O)[O-])c(N)n1)C(N)=O.
What is the InChIKey of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide?
The InChIKey is USDSZGMAQWPMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-5(2)8(10(12)16)13-7-4-3-6(15(17)18)9(11)14-7/h3-5,8H,1-2H3,(H2,12,16)(H3,11,13,14).
What are the key properties of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide?
2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide has a molecular weight of 253.26 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide is sourced from PubChem (CID 114176414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).