N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H15N3O4 — CID 110889021

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NCC(O)c3ccco3)c(=O)n2c1
InChIInChI=1S/C16H15N3O4/c1-10-4-5-14-17-7-11(16(22)19(14)9-10)15(21)18-8-12(20)13-3-2-6-23-13/h2-7,9,12,20H,8H2,1H3,(H,18,21)
InChIKeyZNKGSFYWUGWDAB-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.06
Rot. Bonds4

About N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 110889021) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID110889021
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NCC(O)c3ccco3)c(=O)n2c1
InChIInChI=1S/C16H15N3O4/c1-10-4-5-14-17-7-11(16(22)19(14)9-10)15(21)18-8-12(20)13-3-2-6-23-13/h2-7,9,12,20H,8H2,1H3,(H,18,21)
InChIKeyZNKGSFYWUGWDAB-UHFFFAOYSA-N
XLogP1.06
TPSA96.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 110889021) is N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NCC(O)c3ccco3)c(=O)n2c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZNKGSFYWUGWDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-10-4-5-14-17-7-11(16(22)19(14)9-10)15(21)18-8-12(20)13-3-2-6-23-13/h2-7,9,12,20H,8H2,1H3,(H,18,21).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110889021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).