N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C13H11F3N2O3 — CID 31848498

IUPACN-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)8-21-12-10(4-1-5-17-12)11(19)18-7-9-3-2-6-20-9/h1-6H,7-8H2,(H,18,19)
InChIKeyISDQHUWBNLVMCS-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.55
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 31848498) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID31848498
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC NameN-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C13H11F3N2O3/c14-13(15,16)8-21-12-10(4-1-5-17-12)11(19)18-7-9-3-2-6-20-9/h1-6H,7-8H2,(H,18,19)
InChIKeyISDQHUWBNLVMCS-UHFFFAOYSA-N
XLogP2.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727206
N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134005289
2-ethoxy-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 29367228
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 111447628
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46482950
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 75399289
N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 31853242
N-(3-propan-2-yloxypropyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86926030
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31909915
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 119514467

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 31848498) is N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCc1ccco1)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is ISDQHUWBNLVMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c14-13(15,16)8-21-12-10(4-1-5-17-12)11(19)18-7-9-3-2-6-20-9/h1-6H,7-8H2,(H,18,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 31848498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).