N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide

C29H37N5O4 — CID 54760627

About N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide

N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 54760627) has the molecular formula C29H37N5O4 and a molecular weight of 519.65 g/mol. Its IUPAC name is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide
• PubChem CID: 54760627
• Molecular Formula: C29H37N5O4
• Molecular Weight: 519.65 g/mol
• Exact Mass: 519.28
• IUPAC Name: N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide
• SMILES: CC(C)N1CCC(Oc2ccc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1
• InChI: InChI=1S/C29H37N5O4/c1-19(2)34-14-12-22(13-15-34)37-23-10-11-24(30-18-23)28(36)31-21-8-6-20(7-9-21)16-27(35)32-26-17-25(38-33-26)29(3,4)5/h6-11,17-19,22H,12-16H2,1-5H3,(H,31,36)(H,32,33,35)
• InChIKey: PGNOZSABBIZASI-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 109.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.65
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide?

The IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 54760627) is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide.

What is the SMILES notation for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide?

The canonical SMILES for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide is CC(C)N1CCC(Oc2ccc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1.

What is the InChIKey of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide?

The InChIKey is PGNOZSABBIZASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O4/c1-19(2)34-14-12-22(13-15-34)37-23-10-11-24(30-18-23)28(36)31-21-8-6-20(7-9-21)16-27(35)32-26-17-25(38-33-26)29(3,4)5/h6-11,17-19,22H,12-16H2,1-5H3,(H,31,36)(H,32,33,35).

What are the key properties of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide?

N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 519.65 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 54760627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).