N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H13F2N3O3 — CID 135680972

IUPACN-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCc3c(F)cccc3F)c(O)nc12
InChIInChI=1S/C17H13F2N3O3/c1-9-4-3-7-22-14(9)21-16(24)13(17(22)25)15(23)20-8-10-11(18)5-2-6-12(10)19/h2-7,24H,8H2,1H3,(H,20,23)
InChIKeySYFQILPQDYYDOJ-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.92
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135680972) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135680972
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC NameN-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccn2c(=O)c(C(=O)NCc3c(F)cccc3F)c(O)nc12
InChIInChI=1S/C17H13F2N3O3/c1-9-4-3-7-22-14(9)21-16(24)13(17(22)25)15(23)20-8-10-11(18)5-2-6-12(10)19/h2-7,24H,8H2,1H3,(H,20,23)
InChIKeySYFQILPQDYYDOJ-UHFFFAOYSA-N
XLogP1.92
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135680972) is N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccn2c(=O)c(C(=O)NCc3c(F)cccc3F)c(O)nc12.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is SYFQILPQDYYDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c1-9-4-3-7-22-14(9)21-16(24)13(17(22)25)15(23)20-8-10-11(18)5-2-6-12(10)19/h2-7,24H,8H2,1H3,(H,20,23).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-2-hydroxy-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135680972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).