4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide

C27H29N5O2 — CID 66884842

About 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide

4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 66884842) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide
• PubChem CID: 66884842
• Molecular Formula: C27H29N5O2
• Molecular Weight: 455.56 g/mol
• Exact Mass: 455.23
• IUPAC Name: 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide
• SMILES: Cc1cncc(NC(=O)N2CCC(=Cc3cccc(Oc4ncc(C5CC5)cn4)c3)C(C)C2)c1
• InChI: InChI=1S/C27H29N5O2/c1-18-10-24(16-28-13-18)31-27(33)32-9-8-22(19(2)17-32)11-20-4-3-5-25(12-20)34-26-29-14-23(15-30-26)21-6-7-21/h3-5,10-16,19,21H,6-9,17H2,1-2H3,(H,31,33)
• InChIKey: BQYFJJYARBGLPL-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.56
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide?

The IUPAC name of 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide (CID 66884842) is 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide.

What is the SMILES notation for 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide?

The canonical SMILES for 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide is Cc1cncc(NC(=O)N2CCC(=Cc3cccc(Oc4ncc(C5CC5)cn4)c3)C(C)C2)c1.

What is the InChIKey of 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide?

The InChIKey is BQYFJJYARBGLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O2/c1-18-10-24(16-28-13-18)31-27(33)32-9-8-22(19(2)17-32)11-20-4-3-5-25(12-20)34-26-29-14-23(15-30-26)21-6-7-21/h3-5,10-16,19,21H,6-9,17H2,1-2H3,(H,31,33).

What are the key properties of 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide?

4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-(5-cyclopropylpyrimidin-2-yl)oxyphenyl]methylidene]-3-methyl-N-(5-methyl-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 66884842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).