5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide

C25H17ClF2N6O5 — CID 121245966

IUPAC5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
SMILESN#Cc1ccc(Cl)cc1-c1cc(=O)n(C(Cc2cnco2)C(=O)Nc2ccc(C(N)=O)nc2)cc1OC(F)F
InChIInChI=1S/C25H17ClF2N6O5/c26-14-2-1-13(8-29)17(5-14)18-7-22(35)34(11-21(18)39-25(27)28)20(6-16-10-31-12-38-16)24(37)33-15-3-4-19(23(30)36)32-9-15/h1-5,7,9-12,20,25H,6H2,(H2,30,36)(H,33,37)
InChIKeyJRYKBIQDNGKKBF-UHFFFAOYSA-N
MW554.90 g/mol
LogP3.55
Rot. Bonds9

About 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide

5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide (PubChem CID 121245966) has the molecular formula C25H17ClF2N6O5 and a molecular weight of 554.90 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
PubChem CID121245966
Molecular FormulaC25H17ClF2N6O5
Molecular Weight554.90 g/mol
Exact Mass554.09
IUPAC Name5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide
SMILESN#Cc1ccc(Cl)cc1-c1cc(=O)n(C(Cc2cnco2)C(=O)Nc2ccc(C(N)=O)nc2)cc1OC(F)F
InChIInChI=1S/C25H17ClF2N6O5/c26-14-2-1-13(8-29)17(5-14)18-7-22(35)34(11-21(18)39-25(27)28)20(6-16-10-31-12-38-16)24(37)33-15-3-4-19(23(30)36)32-9-15/h1-5,7,9-12,20,25H,6H2,(H2,30,36)(H,33,37)
InChIKeyJRYKBIQDNGKKBF-UHFFFAOYSA-N
XLogP3.55
TPSA166.13 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.90
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide (CID 121245966) is 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide is N#Cc1ccc(Cl)cc1-c1cc(=O)n(C(Cc2cnco2)C(=O)Nc2ccc(C(N)=O)nc2)cc1OC(F)F.
What is the InChIKey of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?
The InChIKey is JRYKBIQDNGKKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF2N6O5/c26-14-2-1-13(8-29)17(5-14)18-7-22(35)34(11-21(18)39-25(27)28)20(6-16-10-31-12-38-16)24(37)33-15-3-4-19(23(30)36)32-9-15/h1-5,7,9-12,20,25H,6H2,(H2,30,36)(H,33,37).
What are the key properties of 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide has a molecular weight of 554.90 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[4-(5-chloro-2-cyanophenyl)-5-(difluoromethoxy)-2-oxo-1-pyridinyl]-3-(1,3-oxazol-5-yl)propanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 121245966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).