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

C27H34N6O4 — CID 54760985

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCCN1CCC(Oc2ccnc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)CC1
InChIInChI=1S/C27H34N6O4/c1-5-33-14-11-20(12-15-33)36-21-10-13-28-22(16-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-17-23(37-32-24)27(2,3)4/h6-10,13,16-17,20H,5,11-12,14-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
InChIKeyBAEPKCSJXVFDDR-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.13
Rot. Bonds7

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 54760985) has the molecular formula C27H34N6O4 and a molecular weight of 506.61 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide
PubChem CID54760985
Molecular FormulaC27H34N6O4
Molecular Weight506.61 g/mol
Exact Mass506.26
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCCN1CCC(Oc2ccnc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)CC1
InChIInChI=1S/C27H34N6O4/c1-5-33-14-11-20(12-15-33)36-21-10-13-28-22(16-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-17-23(37-32-24)27(2,3)4/h6-10,13,16-17,20H,5,11-12,14-15H2,1-4H3,(H,29,34)(H2,30,31,32,35)
InChIKeyBAEPKCSJXVFDDR-UHFFFAOYSA-N
XLogP5.13
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.13
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]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 54760985) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide is CCN1CCC(Oc2ccnc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)CC1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide?
The InChIKey is BAEPKCSJXVFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O4/c1-5-33-14-11-20(12-15-33)36-21-10-13-28-22(16-21)25(34)29-18-6-8-19(9-7-18)30-26(35)31-24-17-23(37-32-24)27(2,3)4/h6-10,13,16-17,20H,5,11-12,14-15H2,1-4H3,(H,29,34)(H2,30,31,32,35).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 506.61 g/mol, XLogP of 5.13, 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]-4-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 54760985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).