N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide

C23H27N5O2 — CID 92621934

About N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 92621934) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 92621934
• Molecular Formula: C23H27N5O2
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.22
• IUPAC Name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
• SMILES: CCc1cc(CNC(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)on1
• InChI: InChI=1S/C23H27N5O2/c1-2-19-12-21(30-27-19)14-26-23(29)17-8-9-22(25-13-17)18-6-5-11-28(15-18)16-20-7-3-4-10-24-20/h3-4,7-10,12-13,18H,2,5-6,11,14-16H2,1H3,(H,26,29)/t18-/m1/s1
• InChIKey: XQOGOCDQLRGPJE-GOSISDBHSA-N
• XLogP: 3.34
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide (CID 92621934) is N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide is CCc1cc(CNC(=O)c2ccc([C@@H]3CCCN(Cc4ccccn4)C3)nc2)on1.

What is the InChIKey of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?

The InChIKey is XQOGOCDQLRGPJE-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-19-12-21(30-27-19)14-26-23(29)17-8-9-22(25-13-17)18-6-5-11-28(15-18)16-20-7-3-4-10-24-20/h3-4,7-10,12-13,18H,2,5-6,11,14-16H2,1H3,(H,26,29)/t18-/m1/s1.

What are the key properties of N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide?

N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92621934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).