5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one

C24H30F2N4O2 — CID 143834335

IUPAC5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one
SMILESCC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1O.CCc1cnc(C)c(F)c1
InChIInChI=1S/C16H20FN3O2.C8H10FN/c1-11-4-5-19(10-15(11)21)6-7-20-14-8-12(17)9-18-13(14)2-3-16(20)22;1-3-7-4-8(9)6(2)10-5-7/h2-3,8-9,11,15,21H,4-7,10H2,1H3;4-5H,3H2,1-2H3
InChIKeyOHWMBTQOZNMGMM-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.33
Rot. Bonds4

About 5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one

5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one (PubChem CID 143834335) has the molecular formula C24H30F2N4O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one
PubChem CID143834335
Molecular FormulaC24H30F2N4O2
Molecular Weight444.53 g/mol
Exact Mass444.23
IUPAC Name5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one
SMILESCC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1O.CCc1cnc(C)c(F)c1
InChIInChI=1S/C16H20FN3O2.C8H10FN/c1-11-4-5-19(10-15(11)21)6-7-20-14-8-12(17)9-18-13(14)2-3-16(20)22;1-3-7-4-8(9)6(2)10-5-7/h2-3,8-9,11,15,21H,4-7,10H2,1H3;4-5H,3H2,1-2H3
InChIKeyOHWMBTQOZNMGMM-UHFFFAOYSA-N
XLogP3.33
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46178857
6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 59226432
6-(2,6-difluorophenyl)-N-[4-[(3R,4R,5S)-3,4-dihydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226523
1-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]methyl]-3-[3-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazolidin-2-one
CID 139519909
(3R*,4R*)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-[(2-methyl-3-pyridinyl)carbonyl]-3-piperidinol
CID 25276447
(3R*,4R*)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-(3-pyridinylacetyl)-3-piperidinol
CID 28737394
(3R*,4R*)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-isonicotinoyl-3-piperidinol
CID 28957827
(3R*,4R*)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-(3-pyridinylmethyl)-3-piperidinol
CID 29022324
7-fluoro-3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 42376947
4-[1-[[5-[(E)-C-(3,4-difluorophenyl)-N-ethoxycarbonimidoyl]-2-pyridinyl]methyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 25253401
1-[2-[(3R,4S)-3-hydroxy-4-[[6-(trifluoromethyl)pyridin-3-yl]methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 44194279
N-[(S)-(3,4-difluorophenyl)-[5-[[4-(6-fluoro-3-pyridinyl)piperidin-1-yl]methyl]-2-pyridinyl]methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 44481076

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one (CID 143834335) is 5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one is CC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1O.CCc1cnc(C)c(F)c1.
What is the InChIKey of 5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one?
The InChIKey is OHWMBTQOZNMGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2.C8H10FN/c1-11-4-5-19(10-15(11)21)6-7-20-14-8-12(17)9-18-13(14)2-3-16(20)22;1-3-7-4-8(9)6(2)10-5-7/h2-3,8-9,11,15,21H,4-7,10H2,1H3;4-5H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one?
5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one has a molecular weight of 444.53 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-fluoro-2-methylpyridine;7-fluoro-1-[2-(3-hydroxy-4-methylpiperidin-1-yl)ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 143834335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).