N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide

C11H13N3O4 — CID 99798364

IUPACN-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide
SMILESCCO[C@@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H13N3O4/c1-2-18-10-5-9(10)13-11(15)8-4-3-7(6-12-8)14(16)17/h3-4,6,9-10H,2,5H2,1H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyJRMXBFRWTOHODX-VHSXEESVSA-N
MW251.24 g/mol
LogP0.90
Rot. Bonds5

About N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide

N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide (PubChem CID 99798364) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide
PubChem CID99798364
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide
SMILESCCO[C@@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C11H13N3O4/c1-2-18-10-5-9(10)13-11(15)8-4-3-7(6-12-8)14(16)17/h3-4,6,9-10H,2,5H2,1H3,(H,13,15)/t9-,10+/m0/s1
InChIKeyJRMXBFRWTOHODX-VHSXEESVSA-N
XLogP0.90
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide (CID 99798364) is N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide is CCO[C@@H]1C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide?
The InChIKey is JRMXBFRWTOHODX-VHSXEESVSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-2-18-10-5-9(10)13-11(15)8-4-3-7(6-12-8)14(16)17/h3-4,6,9-10H,2,5H2,1H3,(H,13,15)/t9-,10+/m0/s1.
What are the key properties of N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide?
N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-ethoxycyclopropyl]-5-nitropyridine-2-carboxamide is sourced from PubChem (CID 99798364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).