ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate

C21H27N3O4 — CID 118719593

IUPACethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate
SMILESCCOC(=O)CCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21
InChIInChI=1S/C21H27N3O4/c1-3-28-18(25)10-12-24-19-15(5-4-11-22-19)13-17(21(24)27)20(26)23-16-8-6-14(2)7-9-16/h4-5,11,13-14,16H,3,6-10,12H2,1-2H3,(H,23,26)
InChIKeyHTUZGIOEZZLLCE-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.66
Rot. Bonds6

About ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate

ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate (PubChem CID 118719593) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate
PubChem CID118719593
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Nameethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate
SMILESCCOC(=O)CCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21
InChIInChI=1S/C21H27N3O4/c1-3-28-18(25)10-12-24-19-15(5-4-11-22-19)13-17(21(24)27)20(26)23-16-8-6-14(2)7-9-16/h4-5,11,13-14,16H,3,6-10,12H2,1-2H3,(H,23,26)
InChIKeyHTUZGIOEZZLLCE-UHFFFAOYSA-N
XLogP2.66
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate?
The IUPAC name of ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate (CID 118719593) is ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate.
What is the SMILES notation for ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate?
The canonical SMILES for ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate is CCOC(=O)CCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21.
What is the InChIKey of ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate?
The InChIKey is HTUZGIOEZZLLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-3-28-18(25)10-12-24-19-15(5-4-11-22-19)13-17(21(24)27)20(26)23-16-8-6-14(2)7-9-16/h4-5,11,13-14,16H,3,6-10,12H2,1-2H3,(H,23,26).
What are the key properties of ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate?
ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate has a molecular weight of 385.46 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[(4-methylcyclohexyl)carbamoyl]-2-oxo-1,8-naphthyridin-1-yl]propanoate is sourced from PubChem (CID 118719593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).