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

C22H25N5O3 — CID 155586998

IUPACmethyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C(=O)OC)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H25N5O3/c1-3-16-11-19-20(25-21(16)28)10-15(12-23-19)14-26-6-8-27(9-7-26)17-4-5-18(24-13-17)22(29)30-2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,25,28)
InChIKeyKWGDJWNTIHTNEG-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.99
Rot. Bonds5

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

methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate (PubChem CID 155586998) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate
PubChem CID155586998
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Namemethyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate
SMILESCCc1cc2ncc(CN3CCN(c4ccc(C(=O)OC)nc4)CC3)cc2[nH]c1=O
InChIInChI=1S/C22H25N5O3/c1-3-16-11-19-20(25-21(16)28)10-15(12-23-19)14-26-6-8-27(9-7-26)17-4-5-18(24-13-17)22(29)30-2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,25,28)
InChIKeyKWGDJWNTIHTNEG-UHFFFAOYSA-N
XLogP1.99
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate with MolForge

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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)methyl]piperazin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate (CID 155586998) is methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate is CCc1cc2ncc(CN3CCN(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)methyl]piperazin-1-yl]pyridine-2-carboxylate?
The InChIKey is KWGDJWNTIHTNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-3-16-11-19-20(25-21(16)28)10-15(12-23-19)14-26-6-8-27(9-7-26)17-4-5-18(24-13-17)22(29)30-2/h4-5,10-13H,3,6-9,14H2,1-2H3,(H,25,28).
What are the key properties of methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate?
methyl 5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]pyridine-2-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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)methyl]piperazin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 155586998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).