N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

C24H19F4N5O — CID 71451310

IUPACN-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ncc(-c2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H19F4N5O/c25-20-9-7-16(11-19(20)24(26,27)28)17-12-30-21(31-13-17)14-32-22(34)5-1-4-18-8-6-15-3-2-10-29-23(15)33-18/h2-3,6-13H,1,4-5,14H2,(H,32,34)
InChIKeyPDSXXHYTOAMMPD-UHFFFAOYSA-N
MW469.44 g/mol
LogP4.88
Rot. Bonds7

About N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (PubChem CID 71451310) has the molecular formula C24H19F4N5O and a molecular weight of 469.44 g/mol. Its IUPAC name is N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.

Molecular Properties

Compound NameN-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
PubChem CID71451310
Molecular FormulaC24H19F4N5O
Molecular Weight469.44 g/mol
Exact Mass469.15
IUPAC NameN-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ncc(-c2ccc(F)c(C(F)(F)F)c2)cn1
InChIInChI=1S/C24H19F4N5O/c25-20-9-7-16(11-19(20)24(26,27)28)17-12-30-21(31-13-17)14-32-22(34)5-1-4-18-8-6-15-3-2-10-29-23(15)33-18/h2-3,6-13H,1,4-5,14H2,(H,32,34)
InChIKeyPDSXXHYTOAMMPD-UHFFFAOYSA-N
XLogP4.88
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The IUPAC name of N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide (CID 71451310) is N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide.
What is the SMILES notation for N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The canonical SMILES for N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is O=C(CCCc1ccc2cccnc2n1)NCc1ncc(-c2ccc(F)c(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
The InChIKey is PDSXXHYTOAMMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N5O/c25-20-9-7-16(11-19(20)24(26,27)28)17-12-30-21(31-13-17)14-32-22(34)5-1-4-18-8-6-15-3-2-10-29-23(15)33-18/h2-3,6-13H,1,4-5,14H2,(H,32,34).
What are the key properties of N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide?
N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide has a molecular weight of 469.44 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide is sourced from PubChem (CID 71451310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).