3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide

C24H26N4O3 — CID 66883411

IUPAC3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cnoc4C)CC3C)c2)cn1
InChIInChI=1S/C24H26N4O3/c1-16-15-28(24(29)27-23-14-26-31-18(23)3)10-9-20(16)11-19-5-4-6-21(12-19)30-22-8-7-17(2)25-13-22/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,27,29)
InChIKeyRGVZXZOEHZGCJE-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.44
Rot. Bonds4

About 3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide

3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 66883411) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID66883411
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESCc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cnoc4C)CC3C)c2)cn1
InChIInChI=1S/C24H26N4O3/c1-16-15-28(24(29)27-23-14-26-31-18(23)3)10-9-20(16)11-19-5-4-6-21(12-19)30-22-8-7-17(2)25-13-22/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,27,29)
InChIKeyRGVZXZOEHZGCJE-UHFFFAOYSA-N
XLogP5.44
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 66883411) is 3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide is Cc1ccc(Oc2cccc(C=C3CCN(C(=O)Nc4cnoc4C)CC3C)c2)cn1.
What is the InChIKey of 3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is RGVZXZOEHZGCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-15-28(24(29)27-23-14-26-31-18(23)3)10-9-20(16)11-19-5-4-6-21(12-19)30-22-8-7-17(2)25-13-22/h4-8,11-14,16H,9-10,15H2,1-3H3,(H,27,29).
What are the key properties of 3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide?
3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-methyl-1,2-oxazol-4-yl)-4-[[3-[(6-methyl-3-pyridinyl)oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 66883411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).