3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide

C11H17N5O3 — CID 106347453

IUPAC3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide
SMILESCNc1ccc([N+](=O)[O-])c(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C11H17N5O3/c1-6(2)9(10(12)17)15-11-7(16(18)19)4-5-8(13-3)14-11/h4-6,9H,1-3H3,(H2,12,17)(H2,13,14,15)
InChIKeyITXVXDHFESHMFR-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.95
Rot. Bonds6

About 3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide

3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide (PubChem CID 106347453) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide
PubChem CID106347453
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide
SMILESCNc1ccc([N+](=O)[O-])c(NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C11H17N5O3/c1-6(2)9(10(12)17)15-11-7(16(18)19)4-5-8(13-3)14-11/h4-6,9H,1-3H3,(H2,12,17)(H2,13,14,15)
InChIKeyITXVXDHFESHMFR-UHFFFAOYSA-N
XLogP0.95
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.95
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'}

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Related Compounds

2-[[6-(ethylamino)-3-nitro-2-pyridinyl]amino]-3-methylbutanamide
CID 106347523
6-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-nitropyridine-2-carboxylic acid
CID 106345803
2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114176414
3-methyl-2-(2-nitroanilino)butanamide
CID 75429977
(2R)-3-methyl-2-(5-methyl-2-nitroanilino)butanamide
CID 97327394
3-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-nitrobenzamide
CID 106345938
2-(5-fluoro-2-nitroanilino)-3-methylbutanamide
CID 106346093
6-N-methyl-2-N-[1-(5-methylfuran-2-yl)ethyl]-3-nitropyridine-2,6-diamine
CID 80800953
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80783338
methyl 2-[(6-amino-3-nitro-2-pyridinyl)amino]propanoate
CID 70979729
2-(2,4-dinitroanilino)-3-methylbutanamide
CID 103801571
3-methyl-2-[(5-nitroquinolin-8-yl)amino]butanamide
CID 106346065

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide?
The IUPAC name of 3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide (CID 106347453) is 3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide.
What is the SMILES notation for 3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide?
The canonical SMILES for 3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide is CNc1ccc([N+](=O)[O-])c(NC(C(N)=O)C(C)C)n1.
What is the InChIKey of 3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide?
The InChIKey is ITXVXDHFESHMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-6(2)9(10(12)17)15-11-7(16(18)19)4-5-8(13-3)14-11/h4-6,9H,1-3H3,(H2,12,17)(H2,13,14,15).
What are the key properties of 3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide?
3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide has a molecular weight of 267.29 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]butanamide is sourced from PubChem (CID 106347453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).