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

C26H32N6O4 — CID 54760981

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCN1CCC(Oc2ccnc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)CC1
InChIInChI=1S/C26H32N6O4/c1-26(2,3)22-16-23(31-36-22)30-25(34)29-18-7-5-17(6-8-18)28-24(33)21-15-20(9-12-27-21)35-19-10-13-32(4)14-11-19/h5-9,12,15-16,19H,10-11,13-14H2,1-4H3,(H,28,33)(H2,29,30,31,34)
InChIKeyKTPAGYYXYQVYQA-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.74
Rot. Bonds6

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 54760981) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
PubChem CID54760981
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCN1CCC(Oc2ccnc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)c2)CC1
InChIInChI=1S/C26H32N6O4/c1-26(2,3)22-16-23(31-36-22)30-25(34)29-18-7-5-17(6-8-18)28-24(33)21-15-20(9-12-27-21)35-19-10-13-32(4)14-11-19/h5-9,12,15-16,19H,10-11,13-14H2,1-4H3,(H,28,33)(H2,29,30,31,34)
InChIKeyKTPAGYYXYQVYQA-UHFFFAOYSA-N
XLogP4.74
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid
CID 71461388
5-(1-methylpiperidin-4-yl)oxy-N-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyridine-2-carboxamide
CID 70649476
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
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[2-[4-(2-morpholin-4-ylethoxy)-2-pyridinyl]-2-oxoethyl]phenyl]urea
CID 146729675
5-(1-ethylpiperidin-4-yl)oxy-N-[4-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamoylamino]phenyl]pyridine-2-carboxamide;methanesulfonic acid
CID 54759300
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]thiadiazole-4-carboxamide
CID 59380993
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]benzoic acid
CID 59380957
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 54761162
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-2-methylphenyl]-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypyridine-2-carboxamide;methanesulfonic acid
CID 54759495
4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]-N-pyridin-4-ylbenzamide
CID 46883461
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-2,6-dichlorobenzamide
CID 59381180

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 54760981) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-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-methylpiperidin-4-yl)oxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide is CN1CCC(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-methylpiperidin-4-yl)oxypyridine-2-carboxamide?
The InChIKey is KTPAGYYXYQVYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-26(2,3)22-16-23(31-36-22)30-25(34)29-18-7-5-17(6-8-18)28-24(33)21-15-20(9-12-27-21)35-19-10-13-32(4)14-11-19/h5-9,12,15-16,19H,10-11,13-14H2,1-4H3,(H,28,33)(H2,29,30,31,34).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.74, 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]-4-(1-methylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 54760981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).