4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine

C28H34N6O2 — CID 67026603

IUPAC4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCC1(C)COC(C2CCN(c3nc(-c4ccnc(NC5CCOCC5)c4)cc4cnccc34)CC2)=N1
InChIInChI=1S/C28H34N6O2/c1-28(2)18-36-27(33-28)19-5-11-34(12-6-19)26-23-4-9-29-17-21(23)15-24(32-26)20-3-10-30-25(16-20)31-22-7-13-35-14-8-22/h3-4,9-10,15-17,19,22H,5-8,11-14,18H2,1-2H3,(H,30,31)
InChIKeyLMJIJHIAZAIZDQ-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.71
Rot. Bonds5

About 4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine

4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 67026603) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine
PubChem CID67026603
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCC1(C)COC(C2CCN(c3nc(-c4ccnc(NC5CCOCC5)c4)cc4cnccc34)CC2)=N1
InChIInChI=1S/C28H34N6O2/c1-28(2)18-36-27(33-28)19-5-11-34(12-6-19)26-23-4-9-29-17-21(23)15-24(32-26)20-3-10-30-25(16-20)31-22-7-13-35-14-8-22/h3-4,9-10,15-17,19,22H,5-8,11-14,18H2,1-2H3,(H,30,31)
InChIKeyLMJIJHIAZAIZDQ-UHFFFAOYSA-N
XLogP4.71
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine (CID 67026603) is 4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine is CC1(C)COC(C2CCN(c3nc(-c4ccnc(NC5CCOCC5)c4)cc4cnccc34)CC2)=N1.
What is the InChIKey of 4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is LMJIJHIAZAIZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-28(2)18-36-27(33-28)19-5-11-34(12-6-19)26-23-4-9-29-17-21(23)15-24(32-26)20-3-10-30-25(16-20)31-22-7-13-35-14-8-22/h3-4,9-10,15-17,19,22H,5-8,11-14,18H2,1-2H3,(H,30,31).
What are the key properties of 4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine?
4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 486.62 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)piperidin-1-yl]-2,6-naphthyridin-3-yl]-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 67026603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).