methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate

C23H24N4O3 — CID 176613451

IUPACmethyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate
SMILESCCc1cc2ncc(C=C3CCN(c4ccc(C(=O)OC)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C23H24N4O3/c1-3-17-12-20-21(26-22(17)28)11-16(13-24-20)10-15-6-8-27(9-7-15)18-4-5-19(25-14-18)23(29)30-2/h4-5,10-14H,3,6-9H2,1-2H3,(H,26,28)
InChIKeyQZEPHXOZVRGRPU-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.35
Rot. Bonds4

About methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate

methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 176613451) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate
PubChem CID176613451
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Namemethyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate
SMILESCCc1cc2ncc(C=C3CCN(c4ccc(C(=O)OC)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C23H24N4O3/c1-3-17-12-20-21(26-22(17)28)11-16(13-24-20)10-15-6-8-27(9-7-15)18-4-5-19(25-14-18)23(29)30-2/h4-5,10-14H,3,6-9H2,1-2H3,(H,26,28)
InChIKeyQZEPHXOZVRGRPU-UHFFFAOYSA-N
XLogP3.35
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate (CID 176613451) is methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate is CCc1cc2ncc(C=C3CCN(c4ccc(C(=O)OC)nc4)CC3)cc2[nH]c1=O.
What is the InChIKey of methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is QZEPHXOZVRGRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-3-17-12-20-21(26-22(17)28)11-16(13-24-20)10-15-6-8-27(9-7-15)18-4-5-19(25-14-18)23(29)30-2/h4-5,10-14H,3,6-9H2,1-2H3,(H,26,28).
What are the key properties of methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate?
methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 404.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methylidene]piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 176613451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).