N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide

C30H40N6O4 — CID 54762055

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C
InChIInChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
InChIKeyINOASWZOZPQAQM-UHFFFAOYSA-N
MW548.69 g/mol
LogP6.29
Rot. Bonds6

About N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 54762055) has the molecular formula C30H40N6O4 and a molecular weight of 548.69 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide
PubChem CID54762055
Molecular FormulaC30H40N6O4
Molecular Weight548.69 g/mol
Exact Mass548.31
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C
InChIInChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38)
InChIKeyINOASWZOZPQAQM-UHFFFAOYSA-N
XLogP6.29
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 56.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 54762055) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide is CN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1(C)C.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide?
The InChIKey is INOASWZOZPQAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O4/c1-28(2,3)24-15-25(35-40-24)34-27(38)33-20-11-9-19(10-12-20)32-26(37)23-14-13-21(18-31-23)39-22-16-29(4,5)36(8)30(6,7)17-22/h9-15,18,22H,16-17H2,1-8H3,(H,32,37)(H2,33,34,35,38).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 548.69 g/mol, XLogP of 6.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 54762055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).