N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide

C10H14N4O4 — CID 22141713

IUPACN-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
SMILESCOc1ccc([N+](=O)[O-])c(NCCNC(C)=O)n1
InChIInChI=1S/C10H14N4O4/c1-7(15)11-5-6-12-10-8(14(16)17)3-4-9(13-10)18-2/h3-4H,5-6H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyNMXZYSIGBZWZJE-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.55
Rot. Bonds6

About N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide

N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide (PubChem CID 22141713) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
PubChem CID22141713
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
SMILESCOc1ccc([N+](=O)[O-])c(NCCNC(C)=O)n1
InChIInChI=1S/C10H14N4O4/c1-7(15)11-5-6-12-10-8(14(16)17)3-4-9(13-10)18-2/h3-4H,5-6H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyNMXZYSIGBZWZJE-UHFFFAOYSA-N
XLogP0.55
TPSA106.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.55
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

3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 115321178
N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide
CID 115321441
6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide (CID 22141713) is N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide is COc1ccc([N+](=O)[O-])c(NCCNC(C)=O)n1.
What is the InChIKey of N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide?
The InChIKey is NMXZYSIGBZWZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-7(15)11-5-6-12-10-8(14(16)17)3-4-9(13-10)18-2/h3-4H,5-6H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide?
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide is sourced from PubChem (CID 22141713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).