N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide

C16H17F3N4O3 — CID 51122387

IUPACN-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide
SMILESCN(CC(=O)NCCNc1ncccc1C(F)(F)F)C(=O)c1ccco1
InChIInChI=1S/C16H17F3N4O3/c1-23(15(25)12-5-3-9-26-12)10-13(24)20-7-8-22-14-11(16(17,18)19)4-2-6-21-14/h2-6,9H,7-8,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyRNVRCSCACGVWPQ-UHFFFAOYSA-N
MW370.33 g/mol
LogP1.99
Rot. Bonds7

About N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide

N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide (PubChem CID 51122387) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide
PubChem CID51122387
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC NameN-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide
SMILESCN(CC(=O)NCCNc1ncccc1C(F)(F)F)C(=O)c1ccco1
InChIInChI=1S/C16H17F3N4O3/c1-23(15(25)12-5-3-9-26-12)10-13(24)20-7-8-22-14-11(16(17,18)19)4-2-6-21-14/h2-6,9H,7-8,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyRNVRCSCACGVWPQ-UHFFFAOYSA-N
XLogP1.99
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide (CID 51122387) is N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide is CN(CC(=O)NCCNc1ncccc1C(F)(F)F)C(=O)c1ccco1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide?
The InChIKey is RNVRCSCACGVWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c1-23(15(25)12-5-3-9-26-12)10-13(24)20-7-8-22-14-11(16(17,18)19)4-2-6-21-14/h2-6,9H,7-8,10H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide?
N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide has a molecular weight of 370.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 51122387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).