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

C10H14N4O4 — CID 115321441

IUPACN-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide
SMILESCCNC(=O)CNc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-3-11-8(15)6-12-10-7(14(16)17)4-5-9(13-10)18-2/h4-5H,3,6H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyPBWZZPMNJOCEIZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.55
Rot. Bonds6

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

N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide (PubChem CID 115321441) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide
PubChem CID115321441
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC NameN-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide
SMILESCCNC(=O)CNc1nc(OC)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-3-11-8(15)6-12-10-7(14(16)17)4-5-9(13-10)18-2/h4-5H,3,6H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyPBWZZPMNJOCEIZ-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
N-(6-methoxy-3-nitro-2-pyridinyl)pentanamide
CID 19759381
N-[(4-ethylphenyl)methyl]-6-methoxy-3-nitropyridin-2-amine
CID 106900082
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide?
The IUPAC name of N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide (CID 115321441) is N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide?
The canonical SMILES for N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide is CCNC(=O)CNc1nc(OC)ccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide?
The InChIKey is PBWZZPMNJOCEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-3-11-8(15)6-12-10-7(14(16)17)4-5-9(13-10)18-2/h4-5H,3,6H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide?
N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]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-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 115321441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).