N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide

C24H21F5N4O4 — CID 121257559

IUPACN-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H](O)CO)n1)N1CCC(F)(F)c2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H21F5N4O4/c25-23(26)9-10-33(22(36)32-19-5-2-6-20(31-19)37-13-16(35)12-34)21-17(23)7-8-18(30-21)14-3-1-4-15(11-14)24(27,28)29/h1-8,11,16,34-35H,9-10,12-13H2,(H,31,32,36)/t16-/m0/s1
InChIKeyXZPAZOWHZPMZQR-INIZCTEOSA-N
MW524.45 g/mol
LogP4.43
Rot. Bonds6

About N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide

N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide (PubChem CID 121257559) has the molecular formula C24H21F5N4O4 and a molecular weight of 524.45 g/mol. Its IUPAC name is N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide
PubChem CID121257559
Molecular FormulaC24H21F5N4O4
Molecular Weight524.45 g/mol
Exact Mass524.15
IUPAC NameN-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H](O)CO)n1)N1CCC(F)(F)c2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C24H21F5N4O4/c25-23(26)9-10-33(22(36)32-19-5-2-6-20(31-19)37-13-16(35)12-34)21-17(23)7-8-18(30-21)14-3-1-4-15(11-14)24(27,28)29/h1-8,11,16,34-35H,9-10,12-13H2,(H,31,32,36)/t16-/m0/s1
InChIKeyXZPAZOWHZPMZQR-INIZCTEOSA-N
XLogP4.43
TPSA107.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.45
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide with MolForge

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Related Compounds

(2S)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 155160713
(2R)-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)morpholine-4-carboxamide
CID 155160714
N-(6-morpholin-4-ylpyridin-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233227
N-[6-(morpholin-4-ylmethyl)pyridin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233228
N-(4,6-dimethylpyridin-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233231
N-(2,6-dimethylpyridin-4-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233559
(R)-N-(6-(2,3-dihydroxypropoxy)pyridin-2-yl)-6-(3-(trifluoromethyl)phenyl)-2H-pyrido[3,2-b][1,4]oxazine-4(3H)-carboxamide
CID 53233676
N-[6-[(2S)-2,3-dihydroxypropoxy]pyridin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233777
(S)-N-(6-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)pyridin-2-yl)-6-(3-(trifluoromethyl)phenyl)-2H-pyrido[3,2-b][1,4]oxazine-4(3H)-carboxamide
CID 67172836
N-[6-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2-pyridinyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 67172837
N-[6-(azetidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 67172959
[3-(2,3-dihydroxypropoxy)phenyl] 7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 67173469

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide (CID 121257559) is N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide is O=C(Nc1cccc(OC[C@@H](O)CO)n1)N1CCC(F)(F)c2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
The InChIKey is XZPAZOWHZPMZQR-INIZCTEOSA-N. The full InChI is InChI=1S/C24H21F5N4O4/c25-23(26)9-10-33(22(36)32-19-5-2-6-20(31-19)37-13-16(35)12-34)21-17(23)7-8-18(30-21)14-3-1-4-15(11-14)24(27,28)29/h1-8,11,16,34-35H,9-10,12-13H2,(H,31,32,36)/t16-/m0/s1.
What are the key properties of N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide?
N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide has a molecular weight of 524.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-2,3-dihydroxypropoxy]-2-pyridinyl]-4,4-difluoro-7-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 121257559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).