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

C13H15N3O4 — CID 135681041

IUPAC2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CO)NC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C13H15N3O4/c1-2-8(7-17)14-11(18)10-12(19)15-9-5-3-4-6-16(9)13(10)20/h3-6,8,17,19H,2,7H2,1H3,(H,14,18)
InChIKeyAYZBRTLSFIOTOM-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.10
Rot. Bonds4

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

2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681041) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681041
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CO)NC(=O)c1c(O)nc2ccccn2c1=O
InChIInChI=1S/C13H15N3O4/c1-2-8(7-17)14-11(18)10-12(19)15-9-5-3-4-6-16(9)13(10)20/h3-6,8,17,19H,2,7H2,1H3,(H,14,18)
InChIKeyAYZBRTLSFIOTOM-UHFFFAOYSA-N
XLogP-0.10
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681041) is 2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(CO)NC(=O)c1c(O)nc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is AYZBRTLSFIOTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-2-8(7-17)14-11(18)10-12(19)15-9-5-3-4-6-16(9)13(10)20/h3-6,8,17,19H,2,7H2,1H3,(H,14,18).
What are the key properties of 2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 277.28 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-hydroxybutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).