ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate

C24H34N4O3 — CID 69396751

IUPACethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
SMILESCCOC(=O)[C@H](CCCCCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1
InChIInChI=1S/C24H34N4O3/c1-3-31-23(29)21(19-16-26-24(30-2)27-17-19)12-8-6-4-5-7-11-20-14-13-18-10-9-15-25-22(18)28-20/h13-14,16-17,21H,3-12,15H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyMXOKQDZJOHFULK-OAQYLSRUSA-N
MW426.56 g/mol
LogP4.47
Rot. Bonds12

About ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate

ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate (PubChem CID 69396751) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
PubChem CID69396751
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Nameethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
SMILESCCOC(=O)[C@H](CCCCCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1
InChIInChI=1S/C24H34N4O3/c1-3-31-23(29)21(19-16-26-24(30-2)27-17-19)12-8-6-4-5-7-11-20-14-13-18-10-9-15-25-22(18)28-20/h13-14,16-17,21H,3-12,15H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyMXOKQDZJOHFULK-OAQYLSRUSA-N
XLogP4.47
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
CID 69396464
ethane-1,2-diamine;3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 10181888
ethyl (E)-3-(2-methoxypyrimidin-5-yl)-3-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]-1,3-thiazol-2-yl]prop-2-enoate
CID 162080200
(3S)-5,5-difluoro-3-(2-methoxypyrimidin-5-yl)-9-(6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-2-yl)nonanoic acid
CID 10275562
ethyl 3-(6-methoxy-3-pyridinyl)-3-[4-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]triazol-2-yl]propanoate
CID 134500350
(3S)-3-(2-methyl-1-oxidopyrimidin-1-ium-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 59886887
(3S)-3-(2-propan-2-ylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 11292789
3-(2-ethoxypyrimidin-5-yl)-5,5-difluoro-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 69370619
7-[9-methyl-7-(6-methyl-3-pyridinyl)dec-9-enyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;2-methylpropane;tridecane
CID 154643356
ethyl 3-[[3-amino-6-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)hex-2-enylidene]amino]-3-(6-methoxy-3-pyridinyl)propanoate
CID 147451564
(2S)-5-oxo-2-(2-propan-2-ylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 54249344
3-(3-methoxyphenyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 20691520

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate?
The IUPAC name of ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate (CID 69396751) is ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate.
What is the SMILES notation for ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate?
The canonical SMILES for ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate is CCOC(=O)[C@H](CCCCCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1.
What is the InChIKey of ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate?
The InChIKey is MXOKQDZJOHFULK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-3-31-23(29)21(19-16-26-24(30-2)27-17-19)12-8-6-4-5-7-11-20-14-13-18-10-9-15-25-22(18)28-20/h13-14,16-17,21H,3-12,15H2,1-2H3,(H,25,28)/t21-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate?
ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate has a molecular weight of 426.56 g/mol, XLogP of 4.47, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate is sourced from PubChem (CID 69396751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).