4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C22H18F4N4O — CID 118911023

IUPAC4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)CN(C(c1cccnc1)C(F)(F)F)CC2
InChIInChI=1S/C22H18F4N4O/c23-15-5-3-13(4-6-15)17-10-18(21(27)31)29-19-12-30(9-7-16(17)19)20(22(24,25)26)14-2-1-8-28-11-14/h1-6,8,10-11,20H,7,9,12H2,(H2,27,31)
InChIKeyVTGKSFOWTZCMDQ-UHFFFAOYSA-N
MW430.41 g/mol
LogP4.04
Rot. Bonds4

About 4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 118911023) has the molecular formula C22H18F4N4O and a molecular weight of 430.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID118911023
Molecular FormulaC22H18F4N4O
Molecular Weight430.41 g/mol
Exact Mass430.14
IUPAC Name4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)CN(C(c1cccnc1)C(F)(F)F)CC2
InChIInChI=1S/C22H18F4N4O/c23-15-5-3-13(4-6-15)17-10-18(21(27)31)29-19-12-30(9-7-16(17)19)20(22(24,25)26)14-2-1-8-28-11-14/h1-6,8,10-11,20H,7,9,12H2,(H2,27,31)
InChIKeyVTGKSFOWTZCMDQ-UHFFFAOYSA-N
XLogP4.04
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 118911023) is 4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2c(n1)CN(C(c1cccnc1)C(F)(F)F)CC2.
What is the InChIKey of 4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is VTGKSFOWTZCMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N4O/c23-15-5-3-13(4-6-15)17-10-18(21(27)31)29-19-12-30(9-7-16(17)19)20(22(24,25)26)14-2-1-8-28-11-14/h1-6,8,10-11,20H,7,9,12H2,(H2,27,31).
What are the key properties of 4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 430.41 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-(2,2,2-trifluoro-1-pyridin-3-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 118911023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).