5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide

C26H28ClFN4O5 — CID 137447769

IUPAC5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
SMILESCOCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)c(F)cc2C(C)C)cc1=O
InChIInChI=1S/C26H28ClFN4O5/c1-14(2)16-10-20(28)19(27)9-17(16)18-11-24(33)32(13-23(18)37-4)22(7-8-36-3)26(35)31-15-5-6-21(25(29)34)30-12-15/h5-6,9-14,22H,7-8H2,1-4H3,(H2,29,34)(H,31,35)
InChIKeyAGHZMNUMHDWMMS-UHFFFAOYSA-N
MW530.98 g/mol
LogP4.15
Rot. Bonds10

About 5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (PubChem CID 137447769) has the molecular formula C26H28ClFN4O5 and a molecular weight of 530.98 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
PubChem CID137447769
Molecular FormulaC26H28ClFN4O5
Molecular Weight530.98 g/mol
Exact Mass530.17
IUPAC Name5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
SMILESCOCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)c(F)cc2C(C)C)cc1=O
InChIInChI=1S/C26H28ClFN4O5/c1-14(2)16-10-20(28)19(27)9-17(16)18-11-24(33)32(13-23(18)37-4)22(7-8-36-3)26(35)31-15-5-6-21(25(29)34)30-12-15/h5-6,9-14,22H,7-8H2,1-4H3,(H2,29,34)(H,31,35)
InChIKeyAGHZMNUMHDWMMS-UHFFFAOYSA-N
XLogP4.15
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.98
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (CID 137447769) is 5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is COCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)c(F)cc2C(C)C)cc1=O.
What is the InChIKey of 5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?
The InChIKey is AGHZMNUMHDWMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN4O5/c1-14(2)16-10-20(28)19(27)9-17(16)18-11-24(33)32(13-23(18)37-4)22(7-8-36-3)26(35)31-15-5-6-21(25(29)34)30-12-15/h5-6,9-14,22H,7-8H2,1-4H3,(H2,29,34)(H,31,35).
What are the key properties of 5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide has a molecular weight of 530.98 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 137447769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).