4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide

C10H14N4O4 — CID 113286764

IUPAC4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
SMILESCOc1ccc([N+](=O)[O-])c(NCCCC(N)=O)n1
InChIInChI=1S/C10H14N4O4/c1-18-9-5-4-7(14(16)17)10(13-9)12-6-2-3-8(11)15/h4-5H,2-3,6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyIXQNXFRXTKXKDW-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.68
Rot. Bonds7

About 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide

4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide (PubChem CID 113286764) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide.

Molecular Properties

Compound Name4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
PubChem CID113286764
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
SMILESCOc1ccc([N+](=O)[O-])c(NCCCC(N)=O)n1
InChIInChI=1S/C10H14N4O4/c1-18-9-5-4-7(14(16)17)10(13-9)12-6-2-3-8(11)15/h4-5H,2-3,6H2,1H3,(H2,11,15)(H,12,13)
InChIKeyIXQNXFRXTKXKDW-UHFFFAOYSA-N
XLogP0.68
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 115321178
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
N-(6-methoxy-3-nitro-2-pyridinyl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 70453186
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
N-cyclopropyl-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321580

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide?
The IUPAC name of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide (CID 113286764) is 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide.
What is the SMILES notation for 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide?
The canonical SMILES for 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide is COc1ccc([N+](=O)[O-])c(NCCCC(N)=O)n1.
What is the InChIKey of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide?
The InChIKey is IXQNXFRXTKXKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-18-9-5-4-7(14(16)17)10(13-9)12-6-2-3-8(11)15/h4-5H,2-3,6H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide?
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide has a molecular weight of 254.25 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide is sourced from PubChem (CID 113286764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).