4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one

C23H27N5O3 — CID 164882854

IUPAC4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one
SMILESCC1(Cc2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)COC1
InChIInChI=1S/C23H27N5O3/c1-23(13-31-14-23)11-15-10-19(21-18(26-15)4-7-24-22(21)30)27-20-3-2-16(12-25-20)28-8-5-17(29)6-9-28/h2-4,7,10,12,17,29H,5-6,8-9,11,13-14H2,1H3,(H,24,30)(H,25,26,27)
InChIKeyIRJHKZVNCKYMHD-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.60
Rot. Bonds5

About 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one

4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one (PubChem CID 164882854) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one
PubChem CID164882854
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one
SMILESCC1(Cc2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)COC1
InChIInChI=1S/C23H27N5O3/c1-23(13-31-14-23)11-15-10-19(21-18(26-15)4-7-24-22(21)30)27-20-3-2-16(12-25-20)28-8-5-17(29)6-9-28/h2-4,7,10,12,17,29H,5-6,8-9,11,13-14H2,1H3,(H,24,30)(H,25,26,27)
InChIKeyIRJHKZVNCKYMHD-UHFFFAOYSA-N
XLogP2.60
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 167232872
2-(2-fluoro-6-methoxyphenyl)-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164883062
2-[5-(1-aminoethyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 175872369
4-fluoro-3-[4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-5-oxo-6H-1,6-naphthyridin-2-yl]benzonitrile
CID 164882839
2-[2-fluoro-4-(piperidin-1-ylmethyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882898
2-[5-ethoxy-2-fluoro-4-[hydroxy(piperidin-1-yl)methyl]phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 167232832
2-[2-fluoro-5-(pyrrolidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882438
2-[4-(azetidine-1-carbonyl)-2-fluorophenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 164882741
2-[2-fluoro-4-(3-hydroxypiperidine-1-carbonyl)phenyl]-4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-6H-1,6-naphthyridin-5-one
CID 167232799
N-[3-fluoro-4-[4-[(5-morpholin-4-yl-2-pyridinyl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882414
2-(4-hydroxypiperidin-1-yl)-4-(4-morpholin-4-ylanilino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 58494192
8-[[5-[4-(methylamino)piperidin-1-yl]-2-pyridinyl]amino]-5-pyridin-4-yl-2H-isoquinolin-1-one
CID 164882863

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one (CID 164882854) is 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one is CC1(Cc2cc(Nc3ccc(N4CCC(O)CC4)cn3)c3c(=O)[nH]ccc3n2)COC1.
What is the InChIKey of 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one?
The InChIKey is IRJHKZVNCKYMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-23(13-31-14-23)11-15-10-19(21-18(26-15)4-7-24-22(21)30)27-20-3-2-16(12-25-20)28-8-5-17(29)6-9-28/h2-4,7,10,12,17,29H,5-6,8-9,11,13-14H2,1H3,(H,24,30)(H,25,26,27).
What are the key properties of 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one?
4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one has a molecular weight of 421.50 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-2-[(3-methyloxetan-3-yl)methyl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 164882854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).