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

C28H36N6O4 — CID 54762049

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCC(C)N1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1
InChIInChI=1S/C28H36N6O4/c1-18(2)34-14-12-21(13-15-34)37-22-10-11-23(29-17-22)26(35)30-19-6-8-20(9-7-19)31-27(36)32-25-16-24(38-33-25)28(3,4)5/h6-11,16-18,21H,12-15H2,1-5H3,(H,30,35)(H2,31,32,33,36)
InChIKeyFGOGRVVUAJAJDC-UHFFFAOYSA-N
MW520.63 g/mol
LogP5.51
Rot. Bonds7

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 54762049) has the molecular formula C28H36N6O4 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide
PubChem CID54762049
Molecular FormulaC28H36N6O4
Molecular Weight520.63 g/mol
Exact Mass520.28
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCC(C)N1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1
InChIInChI=1S/C28H36N6O4/c1-18(2)34-14-12-21(13-15-34)37-22-10-11-23(29-17-22)26(35)30-19-6-8-20(9-7-19)31-27(36)32-25-16-24(38-33-25)28(3,4)5/h6-11,16-18,21H,12-15H2,1-5H3,(H,30,35)(H2,31,32,33,36)
InChIKeyFGOGRVVUAJAJDC-UHFFFAOYSA-N
XLogP5.51
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 55.51
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-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 54762049) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-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-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide is CC(C)N1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)CC1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide?
The InChIKey is FGOGRVVUAJAJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O4/c1-18(2)34-14-12-21(13-15-34)37-22-10-11-23(29-17-22)26(35)30-19-6-8-20(9-7-19)31-27(36)32-25-16-24(38-33-25)28(3,4)5/h6-11,16-18,21H,12-15H2,1-5H3,(H,30,35)(H2,31,32,33,36).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 5.51, 7 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-propan-2-ylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 54762049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).