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

C25H30N6O4 — CID 54761677

IUPACN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide
SMILESCCN1CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)C1
InChIInChI=1S/C25H30N6O4/c1-5-31-14-19(15-31)34-18-10-11-20(26-13-18)23(32)27-16-6-8-17(9-7-16)28-24(33)29-22-12-21(35-30-22)25(2,3)4/h6-13,19H,5,14-15H2,1-4H3,(H,27,32)(H2,28,29,30,33)
InChIKeyNTDVFIXAUWSOCZ-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.35
Rot. Bonds7

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

N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide (PubChem CID 54761677) 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-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide
PubChem CID54761677
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC NameN-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide
SMILESCCN1CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)C1
InChIInChI=1S/C25H30N6O4/c1-5-31-14-19(15-31)34-18-10-11-20(26-13-18)23(32)27-16-6-8-17(9-7-16)28-24(33)29-22-12-21(35-30-22)25(2,3)4/h6-13,19H,5,14-15H2,1-4H3,(H,27,32)(H2,28,29,30,33)
InChIKeyNTDVFIXAUWSOCZ-UHFFFAOYSA-N
XLogP4.35
TPSA121.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.35
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-ethylazetidin-3-yl)oxypyridine-2-carboxamide?
The IUPAC name of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide (CID 54761677) is N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide is CCN1CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)nc2)C1.
What is the InChIKey of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide?
The InChIKey is NTDVFIXAUWSOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-5-31-14-19(15-31)34-18-10-11-20(26-13-18)23(32)27-16-6-8-17(9-7-16)28-24(33)29-22-12-21(35-30-22)25(2,3)4/h6-13,19H,5,14-15H2,1-4H3,(H,27,32)(H2,28,29,30,33).
What are the key properties of N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide?
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-5-(1-ethylazetidin-3-yl)oxypyridine-2-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.35, 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-ethylazetidin-3-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 54761677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).