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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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).