5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide

C24H27N5O4 — CID 169490245

IUPAC5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide
SMILESCCC1=CC2N=CC(CN3C[C@H](Oc4ccc(C(=O)NC5COC5)nc4)[C@H]3C)=CC2=NC1=O
InChIInChI=1S/C24H27N5O4/c1-3-16-7-20-21(28-23(16)30)6-15(8-25-20)10-29-11-22(14(29)2)33-18-4-5-19(26-9-18)24(31)27-17-12-32-13-17/h4-9,14,17,20,22H,3,10-13H2,1-2H3,(H,27,31)/t14-,20?,22+/m1/s1
InChIKeySAFDZUFHBLDBBG-WJLIKKGRSA-N
MW449.51 g/mol
LogP1.36
Rot. Bonds7

About 5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide

5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide (PubChem CID 169490245) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide
PubChem CID169490245
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide
SMILESCCC1=CC2N=CC(CN3C[C@H](Oc4ccc(C(=O)NC5COC5)nc4)[C@H]3C)=CC2=NC1=O
InChIInChI=1S/C24H27N5O4/c1-3-16-7-20-21(28-23(16)30)6-15(8-25-20)10-29-11-22(14(29)2)33-18-4-5-19(26-9-18)24(31)27-17-12-32-13-17/h4-9,14,17,20,22H,3,10-13H2,1-2H3,(H,27,31)/t14-,20?,22+/m1/s1
InChIKeySAFDZUFHBLDBBG-WJLIKKGRSA-N
XLogP1.36
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide with MolForge

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Related Compounds

5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-[(3R)-oxan-3-yl]pyridine-2-carboxamide
CID 167844996
5-[4-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 167844988
N-cyclopropyl-5-[4-[(1R)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 167845053
5-[4-[3-(5-ethyl-6-oxo-1H-pyrazin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560627
N-methyl-5-[4-[(1S)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 167845050
N-cyclopropyl-5-[(2R,3R)-1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoropyridine-2-carboxamide
CID 176996130
5-[4-[3-(5-ethyl-6-oxo-1H-pyridin-2-yl)cyclopentyl]piperazin-1-yl]-N-(oxetan-3-yl)pyridine-2-carboxamide
CID 176560553
N-cyclopentyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109182282
N-cyclopropyl-5-ethylpyridine-2-carboxamide;ethane
CID 166088952
5-(oxan-4-yloxy)pyridine-2-carboxylic acid
CID 66570796
1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
CID 83119185
1-[5-(oxan-4-yloxy)-2-pyridinyl]propan-1-one
CID 112583867

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide (CID 169490245) is 5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide is CCC1=CC2N=CC(CN3C[C@H](Oc4ccc(C(=O)NC5COC5)nc4)[C@H]3C)=CC2=NC1=O.
What is the InChIKey of 5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide?
The InChIKey is SAFDZUFHBLDBBG-WJLIKKGRSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-3-16-7-20-21(28-23(16)30)6-15(8-25-20)10-29-11-22(14(29)2)33-18-4-5-19(26-9-18)24(31)27-17-12-32-13-17/h4-9,14,17,20,22H,3,10-13H2,1-2H3,(H,27,31)/t14-,20?,22+/m1/s1.
What are the key properties of 5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide?
5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3S)-1-[(7-ethyl-6-oxo-8aH-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-N-(oxetan-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 169490245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).