N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide

C10H12F3N3O — CID 105387079

IUPACN-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCC(F)F)c1F
InChIInChI=1S/C10H12F3N3O/c1-2-14-9-8(13)6(3-4-15-9)10(17)16-5-7(11)12/h3-4,7H,2,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyDIEUGCJDYWASGZ-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.65
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide

N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (PubChem CID 105387079) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
PubChem CID105387079
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCC(F)F)c1F
InChIInChI=1S/C10H12F3N3O/c1-2-14-9-8(13)6(3-4-15-9)10(17)16-5-7(11)12/h3-4,7H,2,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyDIEUGCJDYWASGZ-UHFFFAOYSA-N
XLogP1.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387072
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379
N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384494
2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
CID 105387150
2-(ethylamino)-3-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 105386049
2-(ethylamino)-3-fluoro-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 105387704
2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 105386389
2-(ethylamino)-3-fluoro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385395
2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105386164
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
N-(2-cyclopropylpropyl)-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105387388

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (CID 105387079) is N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide is CCNc1nccc(C(=O)NCC(F)F)c1F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The InChIKey is DIEUGCJDYWASGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-2-14-9-8(13)6(3-4-15-9)10(17)16-5-7(11)12/h3-4,7H,2,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide has a molecular weight of 247.22 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105387079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).