N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide

C24H19FN4O4 — CID 172660881

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-n2ccc(C)c(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)c2=O)cn1
InChIInChI=1S/C24H19FN4O4/c1-15-11-12-29(18-6-10-20(32-2)27-14-18)24(31)22(15)23(30)28-17-5-9-21(26-13-17)33-19-7-3-16(25)4-8-19/h3-14H,1-2H3,(H,28,30)
InChIKeyQFCXLKGVBKHLEG-UHFFFAOYSA-N
MW446.44 g/mol
LogP4.13
Rot. Bonds6

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172660881) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172660881
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-n2ccc(C)c(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)c2=O)cn1
InChIInChI=1S/C24H19FN4O4/c1-15-11-12-29(18-6-10-20(32-2)27-14-18)24(31)22(15)23(30)28-17-5-9-21(26-13-17)33-19-7-3-16(25)4-8-19/h3-14H,1-2H3,(H,28,30)
InChIKeyQFCXLKGVBKHLEG-UHFFFAOYSA-N
XLogP4.13
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide (CID 172660881) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide is COc1ccc(-n2ccc(C)c(C(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)c2=O)cn1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is QFCXLKGVBKHLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c1-15-11-12-29(18-6-10-20(32-2)27-14-18)24(31)22(15)23(30)28-17-5-9-21(26-13-17)33-19-7-3-16(25)4-8-19/h3-14H,1-2H3,(H,28,30).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 446.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172660881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).