N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

C19H14F5N5O2 — CID 118064272

IUPACN-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1OCC(F)F)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H14F5N5O2/c20-15(21)10-31-14-4-5-25-9-13(14)28-18(30)11-3-6-26-17(7-11)29-16-2-1-12(8-27-16)19(22,23)24/h1-9,15H,10H2,(H,28,30)(H,26,27,29)
InChIKeyFQEKFXWXAQQZHJ-UHFFFAOYSA-N
MW439.34 g/mol
LogP4.53
Rot. Bonds7

About N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide

N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (PubChem CID 118064272) has the molecular formula C19H14F5N5O2 and a molecular weight of 439.34 g/mol. Its IUPAC name is N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
PubChem CID118064272
Molecular FormulaC19H14F5N5O2
Molecular Weight439.34 g/mol
Exact Mass439.11
IUPAC NameN-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
SMILESO=C(Nc1cnccc1OCC(F)F)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H14F5N5O2/c20-15(21)10-31-14-4-5-25-9-13(14)28-18(30)11-3-6-26-17(7-11)29-16-2-1-12(8-27-16)19(22,23)24/h1-9,15H,10H2,(H,28,30)(H,26,27,29)
InChIKeyFQEKFXWXAQQZHJ-UHFFFAOYSA-N
XLogP4.53
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 118065152
N-(4-pyridin-2-yl-3-pyridinyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072352
N-[4-(benzenesulfinyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064155
2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 131970322
N-(5-phenylpyridazin-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064030
N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118072386
3-fluoro-N-[4-(trifluoromethylperoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 134240355
2-[(5-chloro-2-pyridinyl)amino]-N-[6-fluoro-4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118064134
N-[6-chloro-4-(2-ethyl-4,5-dimethyl-1,3-dioxolan-2-yl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118065041
2-(cyclopropanecarbonylamino)-N-[4-(cyclopropylmethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 118070965
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118063872
N-[5-(2,3-difluorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064634

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The IUPAC name of N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide (CID 118064272) is N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is O=C(Nc1cnccc1OCC(F)F)c1ccnc(Nc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
The InChIKey is FQEKFXWXAQQZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N5O2/c20-15(21)10-31-14-4-5-25-9-13(14)28-18(30)11-3-6-26-17(7-11)29-16-2-1-12(8-27-16)19(22,23)24/h1-9,15H,10H2,(H,28,30)(H,26,27,29).
What are the key properties of N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide?
N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide has a molecular weight of 439.34 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-difluoroethoxy)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 118064272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).