N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

C19H18F3N3O4 — CID 55665423

IUPACN-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(c1cccc(C(F)(F)F)c1)N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1
InChIInChI=1S/C19H18F3N3O4/c1-12(13-3-2-4-14(9-13)19(20,21)22)24(15-5-6-15)18(27)11-23-10-16(25(28)29)7-8-17(23)26/h2-4,7-10,12,15H,5-6,11H2,1H3
InChIKeyIIWFVAGKEVQPHQ-UHFFFAOYSA-N
MW409.36 g/mol
LogP3.53
Rot. Bonds6

About N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide

N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 55665423) has the molecular formula C19H18F3N3O4 and a molecular weight of 409.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID55665423
Molecular FormulaC19H18F3N3O4
Molecular Weight409.36 g/mol
Exact Mass409.12
IUPAC NameN-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCC(c1cccc(C(F)(F)F)c1)N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1
InChIInChI=1S/C19H18F3N3O4/c1-12(13-3-2-4-14(9-13)19(20,21)22)24(15-5-6-15)18(27)11-23-10-16(25(28)29)7-8-17(23)26/h2-4,7-10,12,15H,5-6,11H2,1H3
InChIKeyIIWFVAGKEVQPHQ-UHFFFAOYSA-N
XLogP3.53
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
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-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 55665423) is N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is CC(c1cccc(C(F)(F)F)c1)N(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is IIWFVAGKEVQPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4/c1-12(13-3-2-4-14(9-13)19(20,21)22)24(15-5-6-15)18(27)11-23-10-16(25(28)29)7-8-17(23)26/h2-4,7-10,12,15H,5-6,11H2,1H3.
What are the key properties of N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide?
N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 409.36 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 55665423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).