5-[[2-[4-(5-chloro-3-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide

C26H28ClFN4O5 — CID 137447789

IUPAC5-[[2-[4-(5-chloro-3-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)cc(F)c2C(C)C)cc1=O
InChIInChI=1S/C26H28ClFN4O5/c1-14(2)24-18(9-15(27)10-19(24)28)17-11-23(33)32(13-22(17)37-4)21(7-8-36-3)26(35)31-16-5-6-20(25(29)34)30-12-16/h5-6,9-14,21H,7-8H2,1-4H3,(H2,29,34)(H,31,35)
InChIKeyQVLZJVJCISXGSE-UHFFFAOYSA-N
MW530.98 g/mol
LogP4.15
Rot. Bonds10

About 5-[[2-[4-(5-chloro-3-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-(5-chloro-3-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (PubChem CID 137447789) has the molecular formula C26H28ClFN4O5 and a molecular weight of 530.98 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-3-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-3-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide
PubChem CID137447789
Molecular FormulaC26H28ClFN4O5
Molecular Weight530.98 g/mol
Exact Mass530.17
IUPAC Name5-[[2-[4-(5-chloro-3-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)cc(F)c2C(C)C)cc1=O
InChIInChI=1S/C26H28ClFN4O5/c1-14(2)24-18(9-15(27)10-19(24)28)17-11-23(33)32(13-22(17)37-4)21(7-8-36-3)26(35)31-16-5-6-20(25(29)34)30-12-16/h5-6,9-14,21H,7-8H2,1-4H3,(H2,29,34)(H,31,35)
InChIKeyQVLZJVJCISXGSE-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-3-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-3-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide (CID 137447789) is 5-[[2-[4-(5-chloro-3-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-3-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-3-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)cc(F)c2C(C)C)cc1=O.
What is the InChIKey of 5-[[2-[4-(5-chloro-3-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?
The InChIKey is QVLZJVJCISXGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN4O5/c1-14(2)24-18(9-15(27)10-19(24)28)17-11-23(33)32(13-22(17)37-4)21(7-8-36-3)26(35)31-16-5-6-20(25(29)34)30-12-16/h5-6,9-14,21H,7-8H2,1-4H3,(H2,29,34)(H,31,35).
What are the key properties of 5-[[2-[4-(5-chloro-3-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-(5-chloro-3-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-3-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 137447789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).