5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

C27H25ClF2N6O6 — CID 135205828

IUPAC5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-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)ccc3-c3nnc(C(F)F)o3)cc2=O)cn1
InChIInChI=1S/C27H25ClF2N6O6/c1-31-24(38)19-7-5-15(12-32-19)33-25(39)20(8-9-40-2)36-13-21(41-3)18(11-22(36)37)17-10-14(28)4-6-16(17)26-34-35-27(42-26)23(29)30/h4-7,10-13,20,23H,8-9H2,1-3H3,(H,31,38)(H,33,39)
InChIKeyHOPVUQHXIRDKQQ-UHFFFAOYSA-N
MW602.98 g/mol
LogP4.14
Rot. Bonds11

About 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 135205828) has the molecular formula C27H25ClF2N6O6 and a molecular weight of 602.98 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide
PubChem CID135205828
Molecular FormulaC27H25ClF2N6O6
Molecular Weight602.98 g/mol
Exact Mass602.15
IUPAC Name5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-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)ccc3-c3nnc(C(F)F)o3)cc2=O)cn1
InChIInChI=1S/C27H25ClF2N6O6/c1-31-24(38)19-7-5-15(12-32-19)33-25(39)20(8-9-40-2)36-13-21(41-3)18(11-22(36)37)17-10-14(28)4-6-16(17)26-34-35-27(42-26)23(29)30/h4-7,10-13,20,23H,8-9H2,1-3H3,(H,31,38)(H,33,39)
InChIKeyHOPVUQHXIRDKQQ-UHFFFAOYSA-N
XLogP4.14
TPSA150.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.98
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

US10167280, Example 53
CID 118981673
US10167280, Example 41
CID 121245973
US10167280, Example 46
CID 121245974
US10167280, Example 47
CID 121245982
US10167280, Example 31
CID 121245983
US10167280, Example 50
CID 121245987
US10077265, Example 11
CID 121246717
US10077265, Example 12
CID 121246719
US10421742, Example 124
CID 135204627
US10421742, Example 153
CID 135204746
US10421742, Example 158
CID 135205104
US10421742, Example 159
CID 135205157

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide (CID 135205828) is 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-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-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-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)ccc3-c3nnc(C(F)F)o3)cc2=O)cn1.
What is the InChIKey of 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is HOPVUQHXIRDKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N6O6/c1-31-24(38)19-7-5-15(12-32-19)33-25(39)20(8-9-40-2)36-13-21(41-3)18(11-22(36)37)17-10-14(28)4-6-16(17)26-34-35-27(42-26)23(29)30/h4-7,10-13,20,23H,8-9H2,1-3H3,(H,31,38)(H,33,39).
What are the key properties of 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide?
5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 602.98 g/mol, XLogP of 4.14, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-[5-chloro-2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135205828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).