6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

C25H20FN5O3 — CID 166831539

IUPAC6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NC(C)c2ccc(F)cc2)c(O)c2cc(-c3ccc(C#N)cn3)cnc21
InChIInChI=1S/C25H20FN5O3/c1-3-31-23-19(10-17(13-29-23)20-9-4-15(11-27)12-28-20)22(32)21(25(31)34)24(33)30-14(2)16-5-7-18(26)8-6-16/h4-10,12-14,32H,3H2,1-2H3,(H,30,33)
InChIKeyXTWJNWSROXKEMY-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.69
Rot. Bonds5

About 6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide

6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831539) has the molecular formula C25H20FN5O3 and a molecular weight of 457.47 g/mol. Its IUPAC name is 6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831539
Molecular FormulaC25H20FN5O3
Molecular Weight457.47 g/mol
Exact Mass457.16
IUPAC Name6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NC(C)c2ccc(F)cc2)c(O)c2cc(-c3ccc(C#N)cn3)cnc21
InChIInChI=1S/C25H20FN5O3/c1-3-31-23-19(10-17(13-29-23)20-9-4-15(11-27)12-28-20)22(32)21(25(31)34)24(33)30-14(2)16-5-7-18(26)8-6-16/h4-10,12-14,32H,3H2,1-2H3,(H,30,33)
InChIKeyXTWJNWSROXKEMY-UHFFFAOYSA-N
XLogP3.69
TPSA120.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831539) is 6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is CCn1c(=O)c(C(=O)NC(C)c2ccc(F)cc2)c(O)c2cc(-c3ccc(C#N)cn3)cnc21.
What is the InChIKey of 6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is XTWJNWSROXKEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O3/c1-3-31-23-19(10-17(13-29-23)20-9-4-15(11-27)12-28-20)22(32)21(25(31)34)24(33)30-14(2)16-5-7-18(26)8-6-16/h4-10,12-14,32H,3H2,1-2H3,(H,30,33).
What are the key properties of 6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide?
6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 457.47 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyano-2-pyridinyl)-1-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).