1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C24H34N4O4 — CID 167335685

IUPAC1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCO[C@H](C)[C@@H]3C)c2=O)CC1
InChIInChI=1S/C24H34N4O4/c1-15-6-8-18(9-7-15)26-23(30)20-21(29)19-5-4-10-25-22(19)28(24(20)31)12-11-27-13-14-32-17(3)16(27)2/h4-5,10,15-18,29H,6-9,11-14H2,1-3H3,(H,26,30)/t15?,16-,17+,18?/m0/s1
InChIKeyYJJRTCGCQJDWGE-JDEYZFBPSA-N
MW442.56 g/mol
LogP2.52
Rot. Bonds5

About 1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 167335685) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID167335685
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCO[C@H](C)[C@@H]3C)c2=O)CC1
InChIInChI=1S/C24H34N4O4/c1-15-6-8-18(9-7-15)26-23(30)20-21(29)19-5-4-10-25-22(19)28(24(20)31)12-11-27-13-14-32-17(3)16(27)2/h4-5,10,15-18,29H,6-9,11-14H2,1-3H3,(H,26,30)/t15?,16-,17+,18?/m0/s1
InChIKeyYJJRTCGCQJDWGE-JDEYZFBPSA-N
XLogP2.52
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 167335685) is 1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CCC(NC(=O)c2c(O)c3cccnc3n(CCN3CCO[C@H](C)[C@@H]3C)c2=O)CC1.
What is the InChIKey of 1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is YJJRTCGCQJDWGE-JDEYZFBPSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-15-6-8-18(9-7-15)26-23(30)20-21(29)19-5-4-10-25-22(19)28(24(20)31)12-11-27-13-14-32-17(3)16(27)2/h4-5,10,15-18,29H,6-9,11-14H2,1-3H3,(H,26,30)/t15?,16-,17+,18?/m0/s1.
What are the key properties of 1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R,3S)-2,3-dimethylmorpholin-4-yl]ethyl]-4-hydroxy-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 167335685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).