2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H17N3O4 — CID 135680954

IUPAC2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CO)NC(=O)c1c(O)nc2c(C)cccn2c1=O
InChIInChI=1S/C14H17N3O4/c1-3-9(7-18)15-12(19)10-13(20)16-11-8(2)5-4-6-17(11)14(10)21/h4-6,9,18,20H,3,7H2,1-2H3,(H,15,19)
InChIKeyZURZCIYPLRFAFG-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.21
Rot. Bonds4

About 2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135680954) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135680954
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCC(CO)NC(=O)c1c(O)nc2c(C)cccn2c1=O
InChIInChI=1S/C14H17N3O4/c1-3-9(7-18)15-12(19)10-13(20)16-11-8(2)5-4-6-17(11)14(10)21/h4-6,9,18,20H,3,7H2,1-2H3,(H,15,19)
InChIKeyZURZCIYPLRFAFG-UHFFFAOYSA-N
XLogP0.21
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.21
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)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135680954) is 2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCC(CO)NC(=O)c1c(O)nc2c(C)cccn2c1=O.
What is the InChIKey of 2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZURZCIYPLRFAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-3-9(7-18)15-12(19)10-13(20)16-11-8(2)5-4-6-17(11)14(10)21/h4-6,9,18,20H,3,7H2,1-2H3,(H,15,19).
What are the key properties of 2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-(1-hydroxybutan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.21, 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)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135680954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).