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

C10H15N5O3 — CID 106097286

IUPAC3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C10H15N5O3/c1-10(2,5-7(11)16)14-8-4-3-6(15(17)18)9(12)13-8/h3-4H,5H2,1-2H3,(H2,11,16)(H3,12,13,14)
InChIKeyMKXVBAJQBNSSRF-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.64
Rot. Bonds5

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

3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide (PubChem CID 106097286) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
PubChem CID106097286
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C10H15N5O3/c1-10(2,5-7(11)16)14-8-4-3-6(15(17)18)9(12)13-8/h3-4H,5H2,1-2H3,(H2,11,16)(H3,12,13,14)
InChIKeyMKXVBAJQBNSSRF-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
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

3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114143244
6-N-(3-methylpentan-3-yl)-3-nitropyridine-2,6-diamine
CID 106329524
2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-cyclopropylpropanoic acid
CID 79825656
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-methylpentanoate
CID 79815726
2-[2-[(6-amino-5-nitro-2-pyridinyl)amino]ethoxy]acetamide
CID 106239517
5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-nitrobenzamide
CID 106098370
3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-4-nitrobenzoic acid
CID 106096887
6-N-(2-methoxy-2-methylpropyl)-3-nitropyridine-2,6-diamine
CID 113450416
6-N-butyl-3-nitropyridine-2,6-diamine
CID 79827989
2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114176414
3-(2,4-dinitroanilino)-3-methylbutanamide
CID 106097340
4-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81066215

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide (CID 106097286) is 3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of 3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide?
The InChIKey is MKXVBAJQBNSSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-10(2,5-7(11)16)14-8-4-3-6(15(17)18)9(12)13-8/h3-4H,5H2,1-2H3,(H2,11,16)(H3,12,13,14).
What are the key properties of 3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide?
3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide has a molecular weight of 253.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide is sourced from PubChem (CID 106097286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).