3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide

C23H19FN4O3 — CID 10127006

IUPAC3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(=O)n(Cc4cccc(F)c4)cnc3cn2)cc1
InChIInChI=1S/C23H19FN4O3/c1-31-18-7-5-15(6-8-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-3-2-4-17(24)9-16/h2-10,12,14H,11,13H2,1H3,(H,26,29)
InChIKeyGWHYYUGLKSZLLD-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.92
Rot. Bonds6

About 3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide

3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide (PubChem CID 10127006) has the molecular formula C23H19FN4O3 and a molecular weight of 418.43 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide
PubChem CID10127006
Molecular FormulaC23H19FN4O3
Molecular Weight418.43 g/mol
Exact Mass418.14
IUPAC Name3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(=O)n(Cc4cccc(F)c4)cnc3cn2)cc1
InChIInChI=1S/C23H19FN4O3/c1-31-18-7-5-15(6-8-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-3-2-4-17(24)9-16/h2-10,12,14H,11,13H2,1H3,(H,26,29)
InChIKeyGWHYYUGLKSZLLD-UHFFFAOYSA-N
XLogP2.92
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide (CID 10127006) is 3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide is COc1ccc(CNC(=O)c2cc3c(=O)n(Cc4cccc(F)c4)cnc3cn2)cc1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide?
The InChIKey is GWHYYUGLKSZLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3/c1-31-18-7-5-15(6-8-18)11-26-22(29)20-10-19-21(12-25-20)27-14-28(23(19)30)13-16-3-2-4-17(24)9-16/h2-10,12,14H,11,13H2,1H3,(H,26,29).
What are the key properties of 3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide?
3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-4-oxopyrido[3,4-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 10127006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).