N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C23H18FN3O3 — CID 90670948

IUPACN-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2ccc3ncc(C(=O)NCc4cccc(F)c4)c(=O)n3c2)cc1
InChIInChI=1S/C23H18FN3O3/c1-30-19-8-5-16(6-9-19)17-7-10-21-25-13-20(23(29)27(21)14-17)22(28)26-12-15-3-2-4-18(24)11-15/h2-11,13-14H,12H2,1H3,(H,26,28)
InChIKeyTVJAFVYCPLLKMT-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.44
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 90670948) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID90670948
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2ccc3ncc(C(=O)NCc4cccc(F)c4)c(=O)n3c2)cc1
InChIInChI=1S/C23H18FN3O3/c1-30-19-8-5-16(6-9-19)17-7-10-21-25-13-20(23(29)27(21)14-17)22(28)26-12-15-3-2-4-18(24)11-15/h2-11,13-14H,12H2,1H3,(H,26,28)
InChIKeyTVJAFVYCPLLKMT-UHFFFAOYSA-N
XLogP3.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 90670948) is N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is COc1ccc(-c2ccc3ncc(C(=O)NCc4cccc(F)c4)c(=O)n3c2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is TVJAFVYCPLLKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c1-30-19-8-5-16(6-9-19)17-7-10-21-25-13-20(23(29)27(21)14-17)22(28)26-12-15-3-2-4-18(24)11-15/h2-11,13-14H,12H2,1H3,(H,26,28).
What are the key properties of N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-7-(4-methoxyphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90670948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).