8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide

C18H14F3N3O — CID 144631408

IUPAC8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc(-c2cncc3ccc(C(=O)NCC(F)(F)F)nc23)cc1
InChIInChI=1S/C18H14F3N3O/c1-11-2-4-12(5-3-11)14-9-22-8-13-6-7-15(24-16(13)14)17(25)23-10-18(19,20)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeyGQHHMVZRDBVDAH-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.90
Rot. Bonds3

About 8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide

8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 144631408) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide
PubChem CID144631408
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide
SMILESCc1ccc(-c2cncc3ccc(C(=O)NCC(F)(F)F)nc23)cc1
InChIInChI=1S/C18H14F3N3O/c1-11-2-4-12(5-3-11)14-9-22-8-13-6-7-15(24-16(13)14)17(25)23-10-18(19,20)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeyGQHHMVZRDBVDAH-UHFFFAOYSA-N
XLogP3.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide (CID 144631408) is 8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide is Cc1ccc(-c2cncc3ccc(C(=O)NCC(F)(F)F)nc23)cc1.
What is the InChIKey of 8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is GQHHMVZRDBVDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c1-11-2-4-12(5-3-11)14-9-22-8-13-6-7-15(24-16(13)14)17(25)23-10-18(19,20)21/h2-9H,10H2,1H3,(H,23,25).
What are the key properties of 8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide?
8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 144631408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).