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

C24H32N4O4 — CID 69396464

IUPACethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
SMILESCCOC(=O)[C@H](CCC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1
InChIInChI=1S/C24H32N4O4/c1-3-32-23(30)21(18-15-26-24(31-2)27-16-18)13-12-20(29)9-5-4-8-19-11-10-17-7-6-14-25-22(17)28-19/h10-11,15-16,21H,3-9,12-14H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyUDSRRLNHCGKFTI-OAQYLSRUSA-N
MW440.54 g/mol
LogP3.65
Rot. Bonds12

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

ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate (PubChem CID 69396464) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
PubChem CID69396464
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Nameethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
SMILESCCOC(=O)[C@H](CCC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1
InChIInChI=1S/C24H32N4O4/c1-3-32-23(30)21(18-15-26-24(31-2)27-16-18)13-12-20(29)9-5-4-8-19-11-10-17-7-6-14-25-22(17)28-19/h10-11,15-16,21H,3-9,12-14H2,1-2H3,(H,25,28)/t21-/m1/s1
InChIKeyUDSRRLNHCGKFTI-OAQYLSRUSA-N
XLogP3.65
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate
CID 69396751
(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
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
7-quinolin-3-yl-1-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonan-4-one
CID 18680492
(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
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
3-(6-methoxypyridazin-3-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 18475429
3-(2-ethoxypyrimidin-5-yl)-5,5-difluoro-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 69370619
(3R)-3-(5-methoxy-3-pyridinyl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 70091213
ethyl 3-quinolin-3-yl-3-[5-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pentanoylamino]propanoate
CID 54463792
ethane-1,2-diamine;3-(2-methylpyrimidin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 10181888

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate?
The IUPAC name of ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate (CID 69396464) is ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-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)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate?
The canonical SMILES for ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate is CCOC(=O)[C@H](CCC(=O)CCCCc1ccc2c(n1)NCCC2)c1cnc(OC)nc1.
What is the InChIKey of ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate?
The InChIKey is UDSRRLNHCGKFTI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-3-32-23(30)21(18-15-26-24(31-2)27-16-18)13-12-20(29)9-5-4-8-19-11-10-17-7-6-14-25-22(17)28-19/h10-11,15-16,21H,3-9,12-14H2,1-2H3,(H,25,28)/t21-/m1/s1.
What are the key properties of ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate?
ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate has a molecular weight of 440.54 g/mol, XLogP of 3.65, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(2-methoxypyrimidin-5-yl)-5-oxo-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoate is sourced from PubChem (CID 69396464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).