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

C26H21ClFN5O4 — CID 121245924

IUPAC5-[[2-[4-(5-chloro-2-fluorophenyl)-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)ccc1F
InChIInChI=1S/C26H21ClFN5O4/c1-37-23-14-33(24(34)12-19(23)18-10-15(27)5-7-20(18)28)22(11-16-4-2-3-9-30-16)26(36)32-17-6-8-21(25(29)35)31-13-17/h2-10,12-14,22H,11H2,1H3,(H2,29,35)(H,32,36)
InChIKeyGROYGAQONGEZSP-UHFFFAOYSA-N
MW521.94 g/mol
LogP3.63
Rot. Bonds8

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

5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide (PubChem CID 121245924) has the molecular formula C26H21ClFN5O4 and a molecular weight of 521.94 g/mol. Its IUPAC name is 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide
PubChem CID121245924
Molecular FormulaC26H21ClFN5O4
Molecular Weight521.94 g/mol
Exact Mass521.13
IUPAC Name5-[[2-[4-(5-chloro-2-fluorophenyl)-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)ccc1F
InChIInChI=1S/C26H21ClFN5O4/c1-37-23-14-33(24(34)12-19(23)18-10-15(27)5-7-20(18)28)22(11-16-4-2-3-9-30-16)26(36)32-17-6-8-21(25(29)35)31-13-17/h2-10,12-14,22H,11H2,1H3,(H2,29,35)(H,32,36)
InChIKeyGROYGAQONGEZSP-UHFFFAOYSA-N
XLogP3.63
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.94
LogP ≤ 53.63
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-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The IUPAC name of 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide (CID 121245924) is 5-[[2-[4-(5-chloro-2-fluorophenyl)-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-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 5-[[2-[4-(5-chloro-2-fluorophenyl)-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)ccc1F.
What is the InChIKey of 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
The InChIKey is GROYGAQONGEZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClFN5O4/c1-37-23-14-33(24(34)12-19(23)18-10-15(27)5-7-20(18)28)22(11-16-4-2-3-9-30-16)26(36)32-17-6-8-21(25(29)35)31-13-17/h2-10,12-14,22H,11H2,1H3,(H2,29,35)(H,32,36).
What are the key properties of 5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide?
5-[[2-[4-(5-chloro-2-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide has a molecular weight of 521.94 g/mol, XLogP of 3.63, 8 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-fluorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-pyridin-2-ylpropanoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 121245924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).