N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C22H20F3N3O2 — CID 24803063

IUPACN-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cnc2cc(C(C)(C)O)cnc2c1
InChIInChI=1S/C22H20F3N3O2/c1-13-8-14(6-7-22(23,24)25)4-5-17(13)20(29)28-16-10-19-18(27-12-16)9-15(11-26-19)21(2,3)30/h4-12,30H,1-3H3,(H,28,29)/b7-6+
InChIKeyFPDGUIDHVZYFCM-VOTSOKGWSA-N
MW415.42 g/mol
LogP4.99
Rot. Bonds4

About N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 24803063) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID24803063
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cnc2cc(C(C)(C)O)cnc2c1
InChIInChI=1S/C22H20F3N3O2/c1-13-8-14(6-7-22(23,24)25)4-5-17(13)20(29)28-16-10-19-18(27-12-16)9-15(11-26-19)21(2,3)30/h4-12,30H,1-3H3,(H,28,29)/b7-6+
InChIKeyFPDGUIDHVZYFCM-VOTSOKGWSA-N
XLogP4.99
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 24803063) is N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is Cc1cc(/C=C/C(F)(F)F)ccc1C(=O)Nc1cnc2cc(C(C)(C)O)cnc2c1.
What is the InChIKey of N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is FPDGUIDHVZYFCM-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-13-8-14(6-7-22(23,24)25)4-5-17(13)20(29)28-16-10-19-18(27-12-16)9-15(11-26-19)21(2,3)30/h4-12,30H,1-3H3,(H,28,29)/b7-6+.
What are the key properties of N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 415.42 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-hydroxypropan-2-yl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 24803063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).