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

C14H17N3O4 — CID 135680950

IUPAC2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOCCCNC(=O)c1c(O)nc2c(C)cccn2c1=O
InChIInChI=1S/C14H17N3O4/c1-9-5-3-7-17-11(9)16-13(19)10(14(17)20)12(18)15-6-4-8-21-2/h3,5,7,19H,4,6,8H2,1-2H3,(H,15,18)
InChIKeyBTMQFUFJDSRHLZ-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.47
Rot. Bonds5

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

2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135680950) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135680950
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOCCCNC(=O)c1c(O)nc2c(C)cccn2c1=O
InChIInChI=1S/C14H17N3O4/c1-9-5-3-7-17-11(9)16-13(19)10(14(17)20)12(18)15-6-4-8-21-2/h3,5,7,19H,4,6,8H2,1-2H3,(H,15,18)
InChIKeyBTMQFUFJDSRHLZ-UHFFFAOYSA-N
XLogP0.47
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
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-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135680950) is 2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COCCCNC(=O)c1c(O)nc2c(C)cccn2c1=O.
What is the InChIKey of 2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BTMQFUFJDSRHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-9-5-3-7-17-11(9)16-13(19)10(14(17)20)12(18)15-6-4-8-21-2/h3,5,7,19H,4,6,8H2,1-2H3,(H,15,18).
What are the key properties of 2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methoxypropyl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135680950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).