5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

C25H23ClFN5O5 — CID 121245974

IUPAC5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)c(F)cc3C#N)cc2=O)cn1
InChIInChI=1S/C25H23ClFN5O5/c1-29-24(34)20-5-4-15(12-30-20)31-25(35)21(6-7-36-2)32-13-22(37-3)17(10-23(32)33)16-9-18(26)19(27)8-14(16)11-28/h4-5,8-10,12-13,21H,6-7H2,1-3H3,(H,29,34)(H,31,35)
InChIKeyWIUQEVGEUDUYAE-UHFFFAOYSA-N
MW527.94 g/mol
LogP3.16
Rot. Bonds9

About 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 121245974) has the molecular formula C25H23ClFN5O5 and a molecular weight of 527.94 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID121245974
Molecular FormulaC25H23ClFN5O5
Molecular Weight527.94 g/mol
Exact Mass527.14
IUPAC Name5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)c(F)cc3C#N)cc2=O)cn1
InChIInChI=1S/C25H23ClFN5O5/c1-29-24(34)20-5-4-15(12-30-20)31-25(35)21(6-7-36-2)32-13-22(37-3)17(10-23(32)33)16-9-18(26)19(27)8-14(16)11-28/h4-5,8-10,12-13,21H,6-7H2,1-3H3,(H,29,34)(H,31,35)
InChIKeyWIUQEVGEUDUYAE-UHFFFAOYSA-N
XLogP3.16
TPSA135.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.94
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (CID 121245974) is 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)c(F)cc3C#N)cc2=O)cn1.
What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is WIUQEVGEUDUYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O5/c1-29-24(34)20-5-4-15(12-30-20)31-25(35)21(6-7-36-2)32-13-22(37-3)17(10-23(32)33)16-9-18(26)19(27)8-14(16)11-28/h4-5,8-10,12-13,21H,6-7H2,1-3H3,(H,29,34)(H,31,35).
What are the key properties of 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 527.94 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(5-chloro-2-cyano-4-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 121245974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).