5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide

C26H29N5O3 — CID 130188123

About 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide (PubChem CID 130188123) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 130188123
• Molecular Formula: C26H29N5O3
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.23
• IUPAC Name: 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide
• SMILES: Cc1cncc(NC(=O)c2cccc(C(NC(=O)c3cc(C4CC4)on3)C3CCNCC3)c2)c1
• InChI: InChI=1S/C26H29N5O3/c1-16-11-21(15-28-14-16)29-25(32)20-4-2-3-19(12-20)24(18-7-9-27-10-8-18)30-26(33)22-13-23(34-31-22)17-5-6-17/h2-4,11-15,17-18,24,27H,5-10H2,1H3,(H,29,32)(H,30,33)
• InChIKey: GPYXAXGSIBIUKD-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 109.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide (CID 130188123) is 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide is Cc1cncc(NC(=O)c2cccc(C(NC(=O)c3cc(C4CC4)on3)C3CCNCC3)c2)c1.

What is the InChIKey of 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is GPYXAXGSIBIUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-16-11-21(15-28-14-16)29-25(32)20-4-2-3-19(12-20)24(18-7-9-27-10-8-18)30-26(33)22-13-23(34-31-22)17-5-6-17/h2-4,11-15,17-18,24,27H,5-10H2,1H3,(H,29,32)(H,30,33).

What are the key properties of 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide?

5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[[3-[(5-methyl-3-pyridinyl)carbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).