2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate

C9H9N5O4 — CID 83203409

IUPAC2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate
SMILESN#Cc1cc([N+](=O)[O-])cnc1NCCOC(N)=O
InChIInChI=1S/C9H9N5O4/c10-4-6-3-7(14(16)17)5-13-8(6)12-1-2-18-9(11)15/h3,5H,1-2H2,(H2,11,15)(H,12,13)
InChIKeyOTDKGGCEDFIEAU-UHFFFAOYSA-N
MW251.20 g/mol
LogP0.37
Rot. Bonds5

About 2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate

2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate (PubChem CID 83203409) has the molecular formula C9H9N5O4 and a molecular weight of 251.20 g/mol. Its IUPAC name is 2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate
PubChem CID83203409
Molecular FormulaC9H9N5O4
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC Name2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate
SMILESN#Cc1cc([N+](=O)[O-])cnc1NCCOC(N)=O
InChIInChI=1S/C9H9N5O4/c10-4-6-3-7(14(16)17)5-13-8(6)12-1-2-18-9(11)15/h3,5H,1-2H2,(H2,11,15)(H,12,13)
InChIKeyOTDKGGCEDFIEAU-UHFFFAOYSA-N
XLogP0.37
TPSA144.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[(3-bromo-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83205044
5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726
2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile
CID 62198247
2-(2-methylsulfanylethylamino)-5-nitropyridine-3-carbonitrile
CID 60677777
2-(4-hydroxypentylamino)-5-nitropyridine-3-carbonitrile
CID 107269311
3-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 61064039
3-[(3-cyano-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097168
2-(3-methylsulfinylpropylamino)-5-nitropyridine-3-carbonitrile
CID 115620988
2-[(5-hydroxy-4-methylpentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103858554
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552
2-[(4-hydroxyphenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 115618350
2-(5-methylsulfanylpentylamino)-5-nitropyridine-3-carbonitrile
CID 104925608

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate?
The IUPAC name of 2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate (CID 83203409) is 2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate is N#Cc1cc([N+](=O)[O-])cnc1NCCOC(N)=O.
What is the InChIKey of 2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate?
The InChIKey is OTDKGGCEDFIEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O4/c10-4-6-3-7(14(16)17)5-13-8(6)12-1-2-18-9(11)15/h3,5H,1-2H2,(H2,11,15)(H,12,13).
What are the key properties of 2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate?
2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate has a molecular weight of 251.20 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate is sourced from PubChem (CID 83203409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).