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

C18H17N3O4 — CID 135458496

IUPAC2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2c(O)nc3ccccn3c2=O)c1
InChIInChI=1S/C18H17N3O4/c1-25-13-6-4-5-12(11-13)8-9-19-16(22)15-17(23)20-14-7-2-3-10-21(14)18(15)24/h2-7,10-11,23H,8-9H2,1H3,(H,19,22)
InChIKeyDHBISMHURXQEOT-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.38
Rot. Bonds5

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

2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458496) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458496
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2c(O)nc3ccccn3c2=O)c1
InChIInChI=1S/C18H17N3O4/c1-25-13-6-4-5-12(11-13)8-9-19-16(22)15-17(23)20-14-7-2-3-10-21(14)18(15)24/h2-7,10-11,23H,8-9H2,1H3,(H,19,22)
InChIKeyDHBISMHURXQEOT-UHFFFAOYSA-N
XLogP1.38
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458496) is 2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1cccc(CCNC(=O)c2c(O)nc3ccccn3c2=O)c1.
What is the InChIKey of 2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is DHBISMHURXQEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-25-13-6-4-5-12(11-13)8-9-19-16(22)15-17(23)20-14-7-2-3-10-21(14)18(15)24/h2-7,10-11,23H,8-9H2,1H3,(H,19,22).
What are the key properties of 2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).