(2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide

C25H20FN5O — CID 171350282

IUPAC(2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(F)c3)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C25H20FN5O/c1-2-21(25(28)32)30-24-19-10-11-29-14-22(19)31-23(20(24)13-27)16-8-6-15(7-9-16)17-4-3-5-18(26)12-17/h3-12,14,21H,2H2,1H3,(H2,28,32)(H,30,31)/t21-/m1/s1
InChIKeyYJGGIMYNVZOKRK-OAQYLSRUSA-N
MW425.47 g/mol
LogP4.65
Rot. Bonds6

About (2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide

(2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide (PubChem CID 171350282) has the molecular formula C25H20FN5O and a molecular weight of 425.47 g/mol. Its IUPAC name is (2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide.

Molecular Properties

Compound Name(2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
PubChem CID171350282
Molecular FormulaC25H20FN5O
Molecular Weight425.47 g/mol
Exact Mass425.17
IUPAC Name(2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide
SMILESCC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(F)c3)cc2)nc2cnccc12)C(N)=O
InChIInChI=1S/C25H20FN5O/c1-2-21(25(28)32)30-24-19-10-11-29-14-22(19)31-23(20(24)13-27)16-8-6-15(7-9-16)17-4-3-5-18(26)12-17/h3-12,14,21H,2H2,1H3,(H2,28,32)(H,30,31)/t21-/m1/s1
InChIKeyYJGGIMYNVZOKRK-OAQYLSRUSA-N
XLogP4.65
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The IUPAC name of (2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide (CID 171350282) is (2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide.
What is the SMILES notation for (2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The canonical SMILES for (2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide is CC[C@@H](Nc1c(C#N)c(-c2ccc(-c3cccc(F)c3)cc2)nc2cnccc12)C(N)=O.
What is the InChIKey of (2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
The InChIKey is YJGGIMYNVZOKRK-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H20FN5O/c1-2-21(25(28)32)30-24-19-10-11-29-14-22(19)31-23(20(24)13-27)16-8-6-15(7-9-16)17-4-3-5-18(26)12-17/h3-12,14,21H,2H2,1H3,(H2,28,32)(H,30,31)/t21-/m1/s1.
What are the key properties of (2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide?
(2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide has a molecular weight of 425.47 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-cyano-2-[4-(3-fluorophenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanamide is sourced from PubChem (CID 171350282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).