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

C28H35N5O4 — CID 54760630

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

N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 54760630) has the molecular formula C28H35N5O4 and a molecular weight of 505.62 g/mol. Its IUPAC name is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide
• PubChem CID: 54760630
• Molecular Formula: C28H35N5O4
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.27
• IUPAC Name: N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide
• SMILES: CCN1CCC(Oc2ccnc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)CC1
• InChI: InChI=1S/C28H35N5O4/c1-5-33-14-11-21(12-15-33)36-22-10-13-29-23(17-22)27(35)30-20-8-6-19(7-9-20)16-26(34)31-25-18-24(37-32-25)28(2,3)4/h6-10,13,17-18,21H,5,11-12,14-16H2,1-4H3,(H,30,35)(H,31,32,34)
• InChIKey: JGMKBNQMBWZTPD-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 109.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	4.66
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]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide?

The IUPAC name of N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 54760630) is N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-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]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide?

The canonical SMILES for N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide is CCN1CCC(Oc2ccnc(C(=O)Nc3ccc(CC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)CC1.

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

The InChIKey is JGMKBNQMBWZTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O4/c1-5-33-14-11-21(12-15-33)36-22-10-13-29-23(17-22)27(35)30-20-8-6-19(7-9-20)16-26(34)31-25-18-24(37-32-25)28(2,3)4/h6-10,13,17-18,21H,5,11-12,14-16H2,1-4H3,(H,30,35)(H,31,32,34).

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

N-[4-[2-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 4.66, 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]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 54760630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).