4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

C18H19F3N4O3 — CID 126775819

IUPAC4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C18H19F3N4O3/c19-14-7-12(9-23-17(14)25-3-5-27-6-4-25)10-24-18(26)15-8-13(1-2-22-15)28-11-16(20)21/h1-2,7-9,16H,3-6,10-11H2,(H,24,26)
InChIKeyYPVZSPSRKVKHTO-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.03
Rot. Bonds7

About 4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide

4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (PubChem CID 126775819) has the molecular formula C18H19F3N4O3 and a molecular weight of 396.37 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
PubChem CID126775819
Molecular FormulaC18H19F3N4O3
Molecular Weight396.37 g/mol
Exact Mass396.14
IUPAC Name4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cc(OCC(F)F)ccn1
InChIInChI=1S/C18H19F3N4O3/c19-14-7-12(9-23-17(14)25-3-5-27-6-4-25)10-24-18(26)15-8-13(1-2-22-15)28-11-16(20)21/h1-2,7-9,16H,3-6,10-11H2,(H,24,26)
InChIKeyYPVZSPSRKVKHTO-UHFFFAOYSA-N
XLogP2.03
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 126781284
5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 122054908
N-[(5-methyl-3-pyridinyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 99634295
4-(2,2-difluoroethoxy)-N-(2-hydroxy-3-methylbutyl)pyridine-2-carboxamide
CID 110000225
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 167893013
N-[[3-(difluoromethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 49336379
4-(2,2-difluoroethoxy)-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-2-carboxamide
CID 110000032
N-[(3-chlorophenyl)methyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 9401810
N-(2-methylpropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 109202858
4-(2,2-difluoroethoxy)-N-(3-hydroxy-2,2,4-trimethylpentyl)pyridine-2-carboxamide
CID 110000428
6-fluoro-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 125422212
4-(2,2-difluoroethoxy)-N-(1-hydroxypentan-3-yl)pyridine-2-carboxamide
CID 110000328

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide (CID 126775819) is 4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is O=C(NCc1cnc(N2CCOCC2)c(F)c1)c1cc(OCC(F)F)ccn1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
The InChIKey is YPVZSPSRKVKHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O3/c19-14-7-12(9-23-17(14)25-3-5-27-6-4-25)10-24-18(26)15-8-13(1-2-22-15)28-11-16(20)21/h1-2,7-9,16H,3-6,10-11H2,(H,24,26).
What are the key properties of 4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide?
4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide has a molecular weight of 396.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 126775819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).