5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide

C27H22ClF2N5O4 — CID 121245973

IUPAC5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide
SMILESCOc1cn(C(Cc2ccccn2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C(F)F
InChIInChI=1S/C27H22ClF2N5O4/c1-39-23-14-35(24(36)12-20(23)19-10-15(28)5-7-18(19)25(29)30)22(11-16-4-2-3-9-32-16)27(38)34-17-6-8-21(26(31)37)33-13-17/h2-10,12-14,22,25H,11H2,1H3,(H2,31,37)(H,34,38)
InChIKeyGTGKMOIGBAOUJI-UHFFFAOYSA-N
MW553.95 g/mol
LogP4.43
Rot. Bonds9

About 5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide (PubChem CID 121245973) has the molecular formula C27H22ClF2N5O4 and a molecular weight of 553.95 g/mol. Its IUPAC name is 5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide
PubChem CID121245973
Molecular FormulaC27H22ClF2N5O4
Molecular Weight553.95 g/mol
Exact Mass553.13
IUPAC Name5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide
SMILESCOc1cn(C(Cc2ccccn2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C(F)F
InChIInChI=1S/C27H22ClF2N5O4/c1-39-23-14-35(24(36)12-20(23)19-10-15(28)5-7-18(19)25(29)30)22(11-16-4-2-3-9-32-16)27(38)34-17-6-8-21(26(31)37)33-13-17/h2-10,12-14,22,25H,11H2,1H3,(H2,31,37)(H,34,38)
InChIKeyGTGKMOIGBAOUJI-UHFFFAOYSA-N
XLogP4.43
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.95
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[4-[5-Chloro-2-(trifluoromethyl)phenyl]-2-oxopyridin-1-yl]-3-pyridin-2-ylpropanoyl]amino]benzoic acid
CID 117622905
US10167280, Example 54
CID 118981582
US10167280, Example 53
CID 118981673
US10167280, Example 13
CID 121245924
US10167280, Example 12
CID 121245966
US10167280, Example 46
CID 121245974
US10167280, Example 47
CID 121245982
US10167280, Example 31
CID 121245983
US10167280, Example 50
CID 121245987
US10167280, Example 7
CID 121246011
US10421742, Example 124
CID 135204627
US10421742, Example 155
CID 135205309

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide (CID 121245973) is 5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide is COc1cn(C(Cc2ccccn2)C(=O)Nc2ccc(C(N)=O)nc2)c(=O)cc1-c1cc(Cl)ccc1C(F)F.
What is the InChIKey of 5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The InChIKey is GTGKMOIGBAOUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClF2N5O4/c1-39-23-14-35(24(36)12-20(23)19-10-15(28)5-7-18(19)25(29)30)22(11-16-4-2-3-9-32-16)27(38)34-17-6-8-21(26(31)37)33-13-17/h2-10,12-14,22,25H,11H2,1H3,(H2,31,37)(H,34,38).
What are the key properties of 5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-[5-chloro-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide has a molecular weight of 553.95 g/mol, XLogP of 4.43, 9 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-2-(difluoromethyl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 121245973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).