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

C28H34N6O4 — CID 54759297

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(C5CC5)CC4)cn3)cc2)no1
InChIInChI=1S/C28H34N6O4/c1-28(2,3)24-16-25(33-38-24)32-27(36)31-19-6-4-18(5-7-19)30-26(35)23-11-10-22(17-29-23)37-21-12-14-34(15-13-21)20-8-9-20/h4-7,10-11,16-17,20-21H,8-9,12-15H2,1-3H3,(H,30,35)(H2,31,32,33,36)
InChIKeyBHXZFEQWQQPISU-UHFFFAOYSA-N
MW518.62 g/mol
LogP5.27
Rot. Bonds7

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide (PubChem CID 54759297) has the molecular formula C28H34N6O4 and a molecular weight of 518.62 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide
PubChem CID54759297
Molecular FormulaC28H34N6O4
Molecular Weight518.62 g/mol
Exact Mass518.26
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(C5CC5)CC4)cn3)cc2)no1
InChIInChI=1S/C28H34N6O4/c1-28(2,3)24-16-25(33-38-24)32-27(36)31-19-6-4-18(5-7-19)30-26(35)23-11-10-22(17-29-23)37-21-12-14-34(15-13-21)20-8-9-20/h4-7,10-11,16-17,20-21H,8-9,12-15H2,1-3H3,(H,30,35)(H2,31,32,33,36)
InChIKeyBHXZFEQWQQPISU-UHFFFAOYSA-N
XLogP5.27
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 55.27
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-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide (CID 54759297) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-cyclopropylpiperidin-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-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCN(C5CC5)CC4)cn3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide?
The InChIKey is BHXZFEQWQQPISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O4/c1-28(2,3)24-16-25(33-38-24)32-27(36)31-19-6-4-18(5-7-19)30-26(35)23-11-10-22(17-29-23)37-21-12-14-34(15-13-21)20-8-9-20/h4-7,10-11,16-17,20-21H,8-9,12-15H2,1-3H3,(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-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 5.27, 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-cyclopropylpiperidin-4-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 54759297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).