2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C12H13N3O4 — CID 135681039

IUPAC2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCO)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H13N3O4/c16-7-3-5-13-10(17)9-11(18)14-8-4-1-2-6-15(8)12(9)19/h1-2,4,6,16,18H,3,5,7H2,(H,13,17)
InChIKeyVTFDXCNYYNUWPK-UHFFFAOYSA-N
MW263.25 g/mol
LogP-0.49
Rot. Bonds4

About 2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681039) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681039
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCO)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C12H13N3O4/c16-7-3-5-13-10(17)9-11(18)14-8-4-1-2-6-15(8)12(9)19/h1-2,4,6,16,18H,3,5,7H2,(H,13,17)
InChIKeyVTFDXCNYYNUWPK-UHFFFAOYSA-N
XLogP-0.49
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681039) is 2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCCCO)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VTFDXCNYYNUWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-7-3-5-13-10(17)9-11(18)14-8-4-1-2-6-15(8)12(9)19/h1-2,4,6,16,18H,3,5,7H2,(H,13,17).
What are the key properties of 2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 263.25 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).