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

C27H30ClFN4O5 — CID 137447802

IUPAC5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-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(C)C)cc2=O)cn1
InChIInChI=1S/C27H30ClFN4O5/c1-15(2)17-11-21(29)20(28)10-18(17)19-12-25(34)33(14-24(19)38-5)23(8-9-37-4)27(36)32-16-6-7-22(31-13-16)26(35)30-3/h6-7,10-15,23H,8-9H2,1-5H3,(H,30,35)(H,32,36)
InChIKeyMTAUTRVVACVFHF-UHFFFAOYSA-N
MW545.01 g/mol
LogP4.41
Rot. Bonds10

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

5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 137447802) has the molecular formula C27H30ClFN4O5 and a molecular weight of 545.01 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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide
PubChem CID137447802
Molecular FormulaC27H30ClFN4O5
Molecular Weight545.01 g/mol
Exact Mass544.19
IUPAC Name5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-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(C)C)cc2=O)cn1
InChIInChI=1S/C27H30ClFN4O5/c1-15(2)17-11-21(29)20(28)10-18(17)19-12-25(34)33(14-24(19)38-5)23(8-9-37-4)27(36)32-16-6-7-22(31-13-16)26(35)30-3/h6-7,10-15,23H,8-9H2,1-5H3,(H,30,35)(H,32,36)
InChIKeyMTAUTRVVACVFHF-UHFFFAOYSA-N
XLogP4.41
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.01
LogP ≤ 54.41
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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide (CID 137447802) is 5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-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]-N-methylpyridine-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]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)C(CCOC)n2cc(OC)c(-c3cc(Cl)c(F)cc3C(C)C)cc2=O)cn1.
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]-N-methylpyridine-2-carboxamide?
The InChIKey is MTAUTRVVACVFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClFN4O5/c1-15(2)17-11-21(29)20(28)10-18(17)19-12-25(34)33(14-24(19)38-5)23(8-9-37-4)27(36)32-16-6-7-22(31-13-16)26(35)30-3/h6-7,10-15,23H,8-9H2,1-5H3,(H,30,35)(H,32,36).
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]-N-methylpyridine-2-carboxamide?
5-[[2-[4-(5-chloro-4-fluoro-2-propan-2-ylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 545.01 g/mol, XLogP of 4.41, 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]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 137447802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).