N-ethyl-N-(3-nitro-2-pyridinyl)propanamide

C10H13N3O3 — CID 155572515

IUPACN-ethyl-N-(3-nitro-2-pyridinyl)propanamide
SMILESCCC(=O)N(CC)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-3-9(14)12(4-2)10-8(13(15)16)6-5-7-11-10/h5-7H,3-4H2,1-2H3
InChIKeyODJQREMTOZGDBM-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.75
Rot. Bonds4

About N-ethyl-N-(3-nitro-2-pyridinyl)propanamide

N-ethyl-N-(3-nitro-2-pyridinyl)propanamide (PubChem CID 155572515) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-ethyl-N-(3-nitro-2-pyridinyl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-nitro-2-pyridinyl)propanamide
PubChem CID155572515
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-ethyl-N-(3-nitro-2-pyridinyl)propanamide
SMILESCCC(=O)N(CC)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H13N3O3/c1-3-9(14)12(4-2)10-8(13(15)16)6-5-7-11-10/h5-7H,3-4H2,1-2H3
InChIKeyODJQREMTOZGDBM-UHFFFAOYSA-N
XLogP1.75
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

diethyl 2-[methyl-(3-nitro-2-pyridinyl)hydrazinylidene]propanedioate
CID 10639679
N,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 133356104
ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate
CID 62006677
diethyl 2-(3-nitro-2-pyridinyl)propanedioate
CID 13147345
ethyl 4-[2-ethoxyethyl-(3-nitro-2-pyridinyl)carbamoyl]piperazine-1-carboxylate
CID 19911516
N,N-dimethyl-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9339733
N-benzyl-3-nitro-N-propylpyridin-2-amine
CID 133383842
N-(2-ethylphenyl)-2-[methyl-(3-nitro-2-pyridinyl)amino]acetamide
CID 9195857
N-ethyl-N-(3-nitro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232521
N-(3-fluoro-2-pyridinyl)-N-propylpropanamide
CID 171524281
(3-nitro-2-pyridinyl) 2-hydroxybutanoate
CID 57203374
ethyl 2-(3-nitro-2-pyridinyl)-2-sulfanylacetate
CID 139643971

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-nitro-2-pyridinyl)propanamide?
The IUPAC name of N-ethyl-N-(3-nitro-2-pyridinyl)propanamide (CID 155572515) is N-ethyl-N-(3-nitro-2-pyridinyl)propanamide.
What is the SMILES notation for N-ethyl-N-(3-nitro-2-pyridinyl)propanamide?
The canonical SMILES for N-ethyl-N-(3-nitro-2-pyridinyl)propanamide is CCC(=O)N(CC)c1ncccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-N-(3-nitro-2-pyridinyl)propanamide?
The InChIKey is ODJQREMTOZGDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-9(14)12(4-2)10-8(13(15)16)6-5-7-11-10/h5-7H,3-4H2,1-2H3.
What are the key properties of N-ethyl-N-(3-nitro-2-pyridinyl)propanamide?
N-ethyl-N-(3-nitro-2-pyridinyl)propanamide has a molecular weight of 223.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-nitro-2-pyridinyl)propanamide is sourced from PubChem (CID 155572515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).