N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide

C13H11F3N2O3 — CID 103764896

IUPACN-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
SMILESO=C(c1cc[nH]c(=O)c1)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)8-18(7-10-2-1-5-21-10)12(20)9-3-4-17-11(19)6-9/h1-6H,7-8H2,(H,17,19)
InChIKeyKTXUXJMMYITAEP-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.17
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide

N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide (PubChem CID 103764896) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
PubChem CID103764896
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC NameN-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
SMILESO=C(c1cc[nH]c(=O)c1)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)8-18(7-10-2-1-5-21-10)12(20)9-3-4-17-11(19)6-9/h1-6H,7-8H2,(H,17,19)
InChIKeyKTXUXJMMYITAEP-UHFFFAOYSA-N
XLogP2.17
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763376
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877126
5-bromo-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 60682663
N-(furan-2-ylmethyl)-3-(2-methylpropoxy)-N-(2,2,2-trifluoroethyl)benzamide
CID 55452898
2,4-dichloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 55523141
N-(3-ethoxypropyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide
CID 103765269
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959380
5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625918
N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 63714473
5-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 81311914
N-(furan-2-ylmethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 55773477
2-amino-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 79793559

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide (CID 103764896) is N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide is O=C(c1cc[nH]c(=O)c1)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
The InChIKey is KTXUXJMMYITAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c14-13(15,16)8-18(7-10-2-1-5-21-10)12(20)9-3-4-17-11(19)6-9/h1-6H,7-8H2,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide?
N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103764896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).