5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid

C23H19ClN4O5 — CID 121245981

IUPAC5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid
SMILESCCC(C(=O)Nc1ccc(C(=O)O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C23H19ClN4O5/c1-3-19(22(30)27-15-6-7-18(23(31)32)26-11-15)28-12-20(33-2)17(9-21(28)29)16-8-14(24)5-4-13(16)10-25/h4-9,11-12,19H,3H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyYIANJAIVUDJFBP-UHFFFAOYSA-N
MW466.88 g/mol
LogP3.73
Rot. Bonds7

About 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid

5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid (PubChem CID 121245981) has the molecular formula C23H19ClN4O5 and a molecular weight of 466.88 g/mol. Its IUPAC name is 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid
PubChem CID121245981
Molecular FormulaC23H19ClN4O5
Molecular Weight466.88 g/mol
Exact Mass466.10
IUPAC Name5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid
SMILESCCC(C(=O)Nc1ccc(C(=O)O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C23H19ClN4O5/c1-3-19(22(30)27-15-6-7-18(23(31)32)26-11-15)28-12-20(33-2)17(9-21(28)29)16-8-14(24)5-4-13(16)10-25/h4-9,11-12,19H,3H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyYIANJAIVUDJFBP-UHFFFAOYSA-N
XLogP3.73
TPSA134.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.88
LogP ≤ 53.73
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-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid (CID 121245981) is 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid is CCC(C(=O)Nc1ccc(C(=O)O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O.
What is the InChIKey of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid?
The InChIKey is YIANJAIVUDJFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O5/c1-3-19(22(30)27-15-6-7-18(23(31)32)26-11-15)28-12-20(33-2)17(9-21(28)29)16-8-14(24)5-4-13(16)10-25/h4-9,11-12,19H,3H2,1-2H3,(H,27,30)(H,31,32).
What are the key properties of 5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid?
5-[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid has a molecular weight of 466.88 g/mol, XLogP of 3.73, 7 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-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]butanoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 121245981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).