(5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C26H20F2N4O2 — CID 155555948

IUPAC(5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C26H20F2N4O2/c27-18-5-3-17(4-6-18)25-22-2-1-14-29-23(22)13-15-32(25)26(33)31-20-9-12-24(30-16-20)34-21-10-7-19(28)8-11-21/h1-12,14,16,25H,13,15H2,(H,31,33)/t25-/m0/s1
InChIKeyLGWODAWKKAYXPR-VWLOTQADSA-N
MW458.47 g/mol
LogP5.73
Rot. Bonds4

About (5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

(5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 155555948) has the molecular formula C26H20F2N4O2 and a molecular weight of 458.47 g/mol. Its IUPAC name is (5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name(5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID155555948
Molecular FormulaC26H20F2N4O2
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC Name(5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C26H20F2N4O2/c27-18-5-3-17(4-6-18)25-22-2-1-14-29-23(22)13-15-32(25)26(33)31-20-9-12-24(30-16-20)34-21-10-7-19(28)8-11-21/h1-12,14,16,25H,13,15H2,(H,31,33)/t25-/m0/s1
InChIKeyLGWODAWKKAYXPR-VWLOTQADSA-N
XLogP5.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.47
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of (5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 155555948) is (5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for (5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for (5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is LGWODAWKKAYXPR-VWLOTQADSA-N. The full InChI is InChI=1S/C26H20F2N4O2/c27-18-5-3-17(4-6-18)25-22-2-1-14-29-23(22)13-15-32(25)26(33)31-20-9-12-24(30-16-20)34-21-10-7-19(28)8-11-21/h1-12,14,16,25H,13,15H2,(H,31,33)/t25-/m0/s1.
What are the key properties of (5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
(5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 458.47 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 155555948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).