2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid

C10H14N4O5 — CID 79827232

IUPAC2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(Nc1ccc([N+](=O)[O-])c(N)n1)C(=O)O
InChIInChI=1S/C10H14N4O5/c1-19-5-4-6(10(15)16)12-8-3-2-7(14(17)18)9(11)13-8/h2-3,6H,4-5H2,1H3,(H,15,16)(H3,11,12,13)
InChIKeyNTHNTFLUCGIWAB-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.47
Rot. Bonds7

About 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid

2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid (PubChem CID 79827232) has the molecular formula C10H14N4O5 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid
PubChem CID79827232
Molecular FormulaC10H14N4O5
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(Nc1ccc([N+](=O)[O-])c(N)n1)C(=O)O
InChIInChI=1S/C10H14N4O5/c1-19-5-4-6(10(15)16)12-8-3-2-7(14(17)18)9(11)13-8/h2-3,6H,4-5H2,1H3,(H,15,16)(H3,11,12,13)
InChIKeyNTHNTFLUCGIWAB-UHFFFAOYSA-N
XLogP0.47
TPSA140.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methylpentanoate
CID 79826081
4-methoxy-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]butanoic acid
CID 62478996
1-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methoxypropan-2-ol
CID 79815785
N-(4-methoxybutan-2-yl)-6-methyl-5-nitropyridin-2-amine
CID 80712210
2-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 114176414
2-[(6-amino-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79827629
4-[(6-amino-5-nitro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81066215
2-[(5-fluoro-2-nitrobenzoyl)amino]-4-methoxybutanoic acid
CID 62479845
6-N-heptan-2-yl-3-nitropyridine-2,6-diamine
CID 79825693
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-2-methylpentanoate
CID 79815726
6-N-(1-methylsulfanylbutan-2-yl)-3-nitropyridine-2,6-diamine
CID 113494870
4-methoxy-2-[(5-nitro-1,3-thiazol-2-yl)amino]butanoic acid
CID 102769782

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid (CID 79827232) is 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid is COCCC(Nc1ccc([N+](=O)[O-])c(N)n1)C(=O)O.
What is the InChIKey of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid?
The InChIKey is NTHNTFLUCGIWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-19-5-4-6(10(15)16)12-8-3-2-7(14(17)18)9(11)13-8/h2-3,6H,4-5H2,1H3,(H,15,16)(H3,11,12,13).
What are the key properties of 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid?
2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid has a molecular weight of 270.25 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 79827232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).