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

C20H16F3N3O2 — CID 24802897

IUPACN-[7-(hydroxymethyl)-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(CO)cnc2c1
InChIInChI=1S/C20H16F3N3O2/c1-12-6-13(4-5-20(21,22)23)2-3-16(12)19(28)26-15-8-18-17(25-10-15)7-14(11-27)9-24-18/h2-10,27H,11H2,1H3,(H,26,28)/b5-4+
InChIKeyOSXWYGQKMSHPDA-SNAWJCMRSA-N
MW387.36 g/mol
LogP4.26
Rot. Bonds4

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

N-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 24802897) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID24802897
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-[7-(hydroxymethyl)-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(CO)cnc2c1
InChIInChI=1S/C20H16F3N3O2/c1-12-6-13(4-5-20(21,22)23)2-3-16(12)19(28)26-15-8-18-17(25-10-15)7-14(11-27)9-24-18/h2-10,27H,11H2,1H3,(H,26,28)/b5-4+
InChIKeyOSXWYGQKMSHPDA-SNAWJCMRSA-N
XLogP4.26
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of N-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 24802897) is N-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for N-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for N-[7-(hydroxymethyl)-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(CO)cnc2c1.
What is the InChIKey of N-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is OSXWYGQKMSHPDA-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-12-6-13(4-5-20(21,22)23)2-3-16(12)19(28)26-15-8-18-17(25-10-15)7-14(11-27)9-24-18/h2-10,27H,11H2,1H3,(H,26,28)/b5-4+.
What are the key properties of N-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
N-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 387.36 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxymethyl)-1,5-naphthyridin-3-yl]-2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 24802897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).