4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid

C17H18N4O6 — CID 44782969

IUPAC4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1cnc2c(C(=O)N3CCOCC3)cccn2c1=O
InChIInChI=1S/C17H18N4O6/c22-13(3-4-14(23)24)19-12-10-18-15-11(2-1-5-21(15)17(12)26)16(25)20-6-8-27-9-7-20/h1-2,5,10H,3-4,6-9H2,(H,19,22)(H,23,24)
InChIKeyDGLDWFZDXMLVDM-UHFFFAOYSA-N
MW374.35 g/mol
LogP-0.03
Rot. Bonds5

About 4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid

4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid (PubChem CID 44782969) has the molecular formula C17H18N4O6 and a molecular weight of 374.35 g/mol. Its IUPAC name is 4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid
PubChem CID44782969
Molecular FormulaC17H18N4O6
Molecular Weight374.35 g/mol
Exact Mass374.12
IUPAC Name4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1cnc2c(C(=O)N3CCOCC3)cccn2c1=O
InChIInChI=1S/C17H18N4O6/c22-13(3-4-14(23)24)19-12-10-18-15-11(2-1-5-21(15)17(12)26)16(25)20-6-8-27-9-7-20/h1-2,5,10H,3-4,6-9H2,(H,19,22)(H,23,24)
InChIKeyDGLDWFZDXMLVDM-UHFFFAOYSA-N
XLogP-0.03
TPSA130.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

4-oxo-4-[[4-oxo-9-(4-phenylpiperazine-1-carbonyl)pyrido[1,2-a]pyrimidin-3-yl]amino]butanoic acid
CID 44783189
N-(2-hydroxyethyl)-2-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetamide
CID 44782977
4-fluoro-N-[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzamide
CID 44782939
4-oxo-4-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]butanoic acid
CID 44782792
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35328696
3-(benzenesulfonyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 6461370
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 136518690
3-(furan-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 35329167
N-[2-(morpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 2988771
4-(5-methylthiophen-2-yl)-N-[2-(morpholine-4-carbonyl)phenyl]-4-oxobutanamide
CID 35328091

Frequently Asked Questions

What is the IUPAC name of 4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid (CID 44782969) is 4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1cnc2c(C(=O)N3CCOCC3)cccn2c1=O.
What is the InChIKey of 4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid?
The InChIKey is DGLDWFZDXMLVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O6/c22-13(3-4-14(23)24)19-12-10-18-15-11(2-1-5-21(15)17(12)26)16(25)20-6-8-27-9-7-20/h1-2,5,10H,3-4,6-9H2,(H,19,22)(H,23,24).
What are the key properties of 4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid?
4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid has a molecular weight of 374.35 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[9-(morpholine-4-carbonyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 44782969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).