N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide

C23H21FN6O2 — CID 138587865

IUPACN-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCN1CCC(c2nc(C(=O)Nc3cc4cc(-c5cncc(F)c5)ncc4cn3)co2)CC1
InChIInChI=1S/C23H21FN6O2/c1-30-4-2-14(3-5-30)23-28-20(13-32-23)22(31)29-21-8-15-7-19(26-10-17(15)11-27-21)16-6-18(24)12-25-9-16/h6-14H,2-5H2,1H3,(H,27,29,31)
InChIKeyVZOMMQOFCYBNHD-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.88
Rot. Bonds4

About N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide

N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 138587865) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID138587865
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
SMILESCN1CCC(c2nc(C(=O)Nc3cc4cc(-c5cncc(F)c5)ncc4cn3)co2)CC1
InChIInChI=1S/C23H21FN6O2/c1-30-4-2-14(3-5-30)23-28-20(13-32-23)22(31)29-21-8-15-7-19(26-10-17(15)11-27-21)16-6-18(24)12-25-9-16/h6-14H,2-5H2,1H3,(H,27,29,31)
InChIKeyVZOMMQOFCYBNHD-UHFFFAOYSA-N
XLogP3.88
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide (CID 138587865) is N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is CN1CCC(c2nc(C(=O)Nc3cc4cc(-c5cncc(F)c5)ncc4cn3)co2)CC1.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is VZOMMQOFCYBNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-30-4-2-14(3-5-30)23-28-20(13-32-23)22(31)29-21-8-15-7-19(26-10-17(15)11-27-21)16-6-18(24)12-25-9-16/h6-14H,2-5H2,1H3,(H,27,29,31).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide?
N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(1-methylpiperidin-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138587865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).