3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid

C16H20N4O7 — CID 24844978

IUPAC3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid
SMILESO=C(O)C(=O)O.O=c1c2cccnc2ncn1CC(O)CN1CCOCC1
InChIInChI=1S/C14H18N4O3.C2H2O4/c19-11(8-17-4-6-21-7-5-17)9-18-10-16-13-12(14(18)20)2-1-3-15-13;3-1(4)2(5)6/h1-3,10-11,19H,4-9H2;(H,3,4)(H,5,6)
InChIKeyASJIKIYOLWGPAO-UHFFFAOYSA-N
MW380.36 g/mol
LogP-1.36
Rot. Bonds4

About 3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid

3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid (PubChem CID 24844978) has the molecular formula C16H20N4O7 and a molecular weight of 380.36 g/mol. Its IUPAC name is 3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid.

Molecular Properties

Compound Name3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid
PubChem CID24844978
Molecular FormulaC16H20N4O7
Molecular Weight380.36 g/mol
Exact Mass380.13
IUPAC Name3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid
SMILESO=C(O)C(=O)O.O=c1c2cccnc2ncn1CC(O)CN1CCOCC1
InChIInChI=1S/C14H18N4O3.C2H2O4/c19-11(8-17-4-6-21-7-5-17)9-18-10-16-13-12(14(18)20)2-1-3-15-13;3-1(4)2(5)6/h1-3,10-11,19H,4-9H2;(H,3,4)(H,5,6)
InChIKeyASJIKIYOLWGPAO-UHFFFAOYSA-N
XLogP-1.36
TPSA155.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-Morpholinonicotinamide
CID 260349
1-(5-Carbamoylpyridin-2-yl)piperidin-4-yl 4-isopropylpiperazine-1-carboxylate
CID 71533679
ethyl [3-(4-methylbenzyl)-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl]acetate
CID 6620016
ethyl (3-benzyl-2,4-dioxo-3,4-dihydropyrido[2,3-d]pyrimidin-1(2H)-yl)acetate
CID 20879673
3,4,5,6-Tetrahydro-2H-[1,2']bipyridinyl-5'-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 649988
(Z)-ethyl 1-(3-methoxypropyl)-10-methyl-2-(nicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
CID 662340
(Z)-ethyl 1-(3-ethoxypropyl)-2-(nicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
CID 664735
ethyl (2E)-1-butyl-5-oxo-2-[(pyridin-3-ylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
CID 2058645
2-{4-[4-(3,5-Dioxo-morpholin-4-yl)-butyl]-piperazin-1-yl}-pyridine-3-carbaldehyde
CID 13771039
N-isopropyl-6-morpholinonicotinamide
CID 3809944
[1-(5-Carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopentylpiperazine-1-carboxylate
CID 71523156
[1-(5-Carbamoyl-2-pyridinyl)piperidin-4-yl] 4-cyclopropylpiperazine-1-carboxylate
CID 71523157

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid?
The IUPAC name of 3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid (CID 24844978) is 3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid.
What is the SMILES notation for 3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid?
The canonical SMILES for 3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid is O=C(O)C(=O)O.O=c1c2cccnc2ncn1CC(O)CN1CCOCC1.
What is the InChIKey of 3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid?
The InChIKey is ASJIKIYOLWGPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3.C2H2O4/c19-11(8-17-4-6-21-7-5-17)9-18-10-16-13-12(14(18)20)2-1-3-15-13;3-1(4)2(5)6/h1-3,10-11,19H,4-9H2;(H,3,4)(H,5,6).
What are the key properties of 3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid?
3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid has a molecular weight of 380.36 g/mol, XLogP of -1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-morpholin-4-ylpropyl)pyrido[2,3-d]pyrimidin-4-one;oxalic acid is sourced from PubChem (CID 24844978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).