N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

C24H19F3N4O5 — CID 75250611

IUPACN-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(Nc1cccc(OCC(O)CO)n1)c1ccc2cncc(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C24H19F3N4O5/c25-24(26,27)36-17-4-1-3-14(9-17)18-11-28-10-15-7-8-19(29-22(15)18)23(34)31-20-5-2-6-21(30-20)35-13-16(33)12-32/h1-11,16,32-33H,12-13H2,(H,30,31,34)
InChIKeyWDAHXUIGHPKTOZ-UHFFFAOYSA-N
MW500.43 g/mol
LogP3.57
Rot. Bonds8

About N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 75250611) has the molecular formula C24H19F3N4O5 and a molecular weight of 500.43 g/mol. Its IUPAC name is N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID75250611
Molecular FormulaC24H19F3N4O5
Molecular Weight500.43 g/mol
Exact Mass500.13
IUPAC NameN-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESO=C(Nc1cccc(OCC(O)CO)n1)c1ccc2cncc(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C24H19F3N4O5/c25-24(26,27)36-17-4-1-3-14(9-17)18-11-28-10-15-7-8-19(29-22(15)18)23(34)31-20-5-2-6-21(30-20)35-13-16(33)12-32/h1-11,16,32-33H,12-13H2,(H,30,31,34)
InChIKeyWDAHXUIGHPKTOZ-UHFFFAOYSA-N
XLogP3.57
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.43
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide with MolForge

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Related Compounds

3-[[1-[5-(Quinoline-2-carbonylamino)-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 56839506
7-formyl-N-[5-[2-(3-methoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 166626969
5-[2-[3-(Quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide
CID 58548515
N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-ylpyridin-4-yl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 117610088
US10927111, Example 70
CID 155253613
US9656959, Example 45
CID 57405223
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)propyl]-7-(oxan-4-ylamino)-1,6-naphthyridine-2-carboxamide
CID 73336034
(4-Pyridin-2-ylpiperazin-1-yl)-[6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinolin-2-yl]methanone
CID 118273315
N-[2-(pyridin-2-ylamino)ethyl]-6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinoline-2-carboxamide
CID 118273577
1,3-Diazinan-1-yl-[6-[5-(trifluoromethyl)pyridin-2-yl]oxyquinolin-2-yl]methanone
CID 118273988
US10167279, Example 276
CID 134609353
US10167279, Example 254
CID 134609716

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (CID 75250611) is N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is O=C(Nc1cccc(OCC(O)CO)n1)c1ccc2cncc(-c3cccc(OC(F)(F)F)c3)c2n1.
What is the InChIKey of N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is WDAHXUIGHPKTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O5/c25-24(26,27)36-17-4-1-3-14(9-17)18-11-28-10-15-7-8-19(29-22(15)18)23(34)31-20-5-2-6-21(30-20)35-13-16(33)12-32/h1-11,16,32-33H,12-13H2,(H,30,31,34).
What are the key properties of N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 500.43 g/mol, XLogP of 3.57, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydroxypropoxy)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 75250611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).