4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide

C22H21F4N3O2 — CID 162660635

IUPAC4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C22H21F4N3O2/c1-13(27-19(30)14-4-6-15(23)7-5-14)16-8-9-18-17(28-16)3-2-12-29(18)20(31)21(10-11-21)22(24,25)26/h4-9,13H,2-3,10-12H2,1H3,(H,27,30)/t13-/m1/s1
InChIKeyJAQCLZLQHLGDMN-CYBMUJFWSA-N
MW435.42 g/mol
LogP4.33
Rot. Bonds4

About 4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide

4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide (PubChem CID 162660635) has the molecular formula C22H21F4N3O2 and a molecular weight of 435.42 g/mol. Its IUPAC name is 4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
PubChem CID162660635
Molecular FormulaC22H21F4N3O2
Molecular Weight435.42 g/mol
Exact Mass435.16
IUPAC Name4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C22H21F4N3O2/c1-13(27-19(30)14-4-6-15(23)7-5-14)16-8-9-18-17(28-16)3-2-12-29(18)20(31)21(10-11-21)22(24,25)26/h4-9,13H,2-3,10-12H2,1H3,(H,27,30)/t13-/m1/s1
InChIKeyJAQCLZLQHLGDMN-CYBMUJFWSA-N
XLogP4.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide (CID 162660635) is 4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide is C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(n1)CCCN2C(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of 4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?
The InChIKey is JAQCLZLQHLGDMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H21F4N3O2/c1-13(27-19(30)14-4-6-15(23)7-5-14)16-8-9-18-17(28-16)3-2-12-29(18)20(31)21(10-11-21)22(24,25)26/h4-9,13H,2-3,10-12H2,1H3,(H,27,30)/t13-/m1/s1.
What are the key properties of 4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide?
4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide has a molecular weight of 435.42 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1R)-1-[5-[1-(trifluoromethyl)cyclopropanecarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide is sourced from PubChem (CID 162660635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).