ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate

C18H16N4O6 — CID 44782906

IUPACethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc2ncc(NC(=O)c3ccco3)c(=O)n2c1
InChIInChI=1S/C18H16N4O6/c1-2-27-15(23)9-20-16(24)11-5-6-14-19-8-12(18(26)22(14)10-11)21-17(25)13-4-3-7-28-13/h3-8,10H,2,9H2,1H3,(H,20,24)(H,21,25)
InChIKeyUNANBJKFJKATDX-UHFFFAOYSA-N
MW384.35 g/mol
LogP0.83
Rot. Bonds6

About ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate

ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate (PubChem CID 44782906) has the molecular formula C18H16N4O6 and a molecular weight of 384.35 g/mol. Its IUPAC name is ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate
PubChem CID44782906
Molecular FormulaC18H16N4O6
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC Nameethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccc2ncc(NC(=O)c3ccco3)c(=O)n2c1
InChIInChI=1S/C18H16N4O6/c1-2-27-15(23)9-20-16(24)11-5-6-14-19-8-12(18(26)22(14)10-11)21-17(25)13-4-3-7-28-13/h3-8,10H,2,9H2,1H3,(H,20,24)(H,21,25)
InChIKeyUNANBJKFJKATDX-UHFFFAOYSA-N
XLogP0.83
TPSA132.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate with MolForge

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Related Compounds

3-(furan-2-carbonylamino)-N-(furan-2-ylmethyl)-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783091
ethyl 2-[(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)amino]acetate
CID 44782870
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884691
N-[2-methyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17461631
N-(2,4-diethoxypyrimidin-5-yl)furan-2-carboxamide
CID 71807610
N-[5-(3-ethoxypropylcarbamoyl)-2-methylphenyl]furan-2-carboxamide
CID 17475602
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880201
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
N-(5-chloro-4,6-dimethyl-3-pyridinyl)furan-2-carboxamide
CID 75537595
3-acetamido-N-[2-(1H-indol-3-yl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 44783289
N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 177047514

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate (CID 44782906) is ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1ccc2ncc(NC(=O)c3ccco3)c(=O)n2c1.
What is the InChIKey of ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate?
The InChIKey is UNANBJKFJKATDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6/c1-2-27-15(23)9-20-16(24)11-5-6-14-19-8-12(18(26)22(14)10-11)21-17(25)13-4-3-7-28-13/h3-8,10H,2,9H2,1H3,(H,20,24)(H,21,25).
What are the key properties of ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate?
ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate has a molecular weight of 384.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(furan-2-carbonylamino)-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl]amino]acetate is sourced from PubChem (CID 44782906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).