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

C25H30N6O4 — CID 54761159

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCNCC4)cn3)cc2)no1
InChIInChI=1S/C25H30N6O4/c1-25(2,3)21-14-22(31-35-21)30-24(33)29-17-6-4-16(5-7-17)28-23(32)20-9-8-19(15-27-20)34-18-10-12-26-13-11-18/h4-9,14-15,18,26H,10-13H2,1-3H3,(H,28,32)(H2,29,30,31,33)
InChIKeyLIFJGDQDPHYFQJ-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.39
Rot. Bonds6

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide (PubChem CID 54761159) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide
PubChem CID54761159
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCNCC4)cn3)cc2)no1
InChIInChI=1S/C25H30N6O4/c1-25(2,3)21-14-22(31-35-21)30-24(33)29-17-6-4-16(5-7-17)28-23(32)20-9-8-19(15-27-20)34-18-10-12-26-13-11-18/h4-9,14-15,18,26H,10-13H2,1-3H3,(H,28,32)(H2,29,30,31,33)
InChIKeyLIFJGDQDPHYFQJ-UHFFFAOYSA-N
XLogP4.39
TPSA130.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.39
H-Bond Donors ≤ 54
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-piperidin-4-yloxypyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide (CID 54761159) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide is CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccc(OC4CCNCC4)cn3)cc2)no1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide?
The InChIKey is LIFJGDQDPHYFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-25(2,3)21-14-22(31-35-21)30-24(33)29-17-6-4-16(5-7-17)28-23(32)20-9-8-19(15-27-20)34-18-10-12-26-13-11-18/h4-9,14-15,18,26H,10-13H2,1-3H3,(H,28,32)(H2,29,30,31,33).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-piperidin-4-yloxypyridine-2-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.39, 6 rotatable bonds, 4 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-piperidin-4-yloxypyridine-2-carboxamide is sourced from PubChem (CID 54761159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).