(8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide

C21H17F3N4O — CID 25234681

IUPAC(8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cccnc2[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N4O/c22-21(23,24)16-7-5-15(6-8-16)19-18-14(3-1-11-26-18)9-12-28(19)20(29)27-17-4-2-10-25-13-17/h1-8,10-11,13,19H,9,12H2,(H,27,29)/t19-/m1/s1
InChIKeyGFCKYRRYSOERHO-LJQANCHMSA-N
MW398.39 g/mol
LogP4.68
Rot. Bonds2

About (8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide

(8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide (PubChem CID 25234681) has the molecular formula C21H17F3N4O and a molecular weight of 398.39 g/mol. Its IUPAC name is (8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name(8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
PubChem CID25234681
Molecular FormulaC21H17F3N4O
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name(8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
SMILESO=C(Nc1cccnc1)N1CCc2cccnc2[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H17F3N4O/c22-21(23,24)16-7-5-15(6-8-16)19-18-14(3-1-11-26-18)9-12-28(19)20(29)27-17-4-2-10-25-13-17/h1-8,10-11,13,19H,9,12H2,(H,27,29)/t19-/m1/s1
InChIKeyGFCKYRRYSOERHO-LJQANCHMSA-N
XLogP4.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The IUPAC name of (8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide (CID 25234681) is (8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide.
What is the SMILES notation for (8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The canonical SMILES for (8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide is O=C(Nc1cccnc1)N1CCc2cccnc2[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
The InChIKey is GFCKYRRYSOERHO-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17F3N4O/c22-21(23,24)16-7-5-15(6-8-16)19-18-14(3-1-11-26-18)9-12-28(19)20(29)27-17-4-2-10-25-13-17/h1-8,10-11,13,19H,9,12H2,(H,27,29)/t19-/m1/s1.
What are the key properties of (8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide?
(8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-pyridin-3-yl-8-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide is sourced from PubChem (CID 25234681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).