3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide

C18H21N3O4 — CID 54735189

IUPAC3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCCC32CCC2)o1
InChIInChI=1S/C18H21N3O4/c1-11-4-5-12(25-11)10-19-15(23)13-14(22)16(24)21-9-3-8-18(6-2-7-18)17(21)20-13/h4-5,22H,2-3,6-10H2,1H3,(H,19,23)
InChIKeyURZLFOJTCUJXPC-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.00
Rot. Bonds3

About 3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide

3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide (PubChem CID 54735189) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide
PubChem CID54735189
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide
SMILESCc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCCC32CCC2)o1
InChIInChI=1S/C18H21N3O4/c1-11-4-5-12(25-11)10-19-15(23)13-14(22)16(24)21-9-3-8-18(6-2-7-18)17(21)20-13/h4-5,22H,2-3,6-10H2,1H3,(H,19,23)
InChIKeyURZLFOJTCUJXPC-UHFFFAOYSA-N
XLogP2.00
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide (CID 54735189) is 3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide is Cc1ccc(CNC(=O)c2nc3n(c(=O)c2O)CCCC32CCC2)o1.
What is the InChIKey of 3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide?
The InChIKey is URZLFOJTCUJXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-4-5-12(25-11)10-19-15(23)13-14(22)16(24)21-9-3-8-18(6-2-7-18)17(21)20-13/h4-5,22H,2-3,6-10H2,1H3,(H,19,23).
What are the key properties of 3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide?
3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-oxospiro[7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-9,1'-cyclobutane]-2-carboxamide is sourced from PubChem (CID 54735189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).