5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide

C26H26ClN5O5 — CID 135205806

IUPAC5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide
SMILESCCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C2=NOCC2)cc1=O
InChIInChI=1S/C26H26ClN5O5/c1-3-4-22(26(35)30-16-6-8-21(25(28)34)29-13-16)32-14-23(36-2)19(12-24(32)33)18-11-15(27)5-7-17(18)20-9-10-37-31-20/h5-8,11-14,22H,3-4,9-10H2,1-2H3,(H2,28,34)(H,30,35)
InChIKeyWRJUZVZDXJUFIS-UHFFFAOYSA-N
MW523.98 g/mol
LogP3.78
Rot. Bonds9

About 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide

5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide (PubChem CID 135205806) has the molecular formula C26H26ClN5O5 and a molecular weight of 523.98 g/mol. Its IUPAC name is 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide
PubChem CID135205806
Molecular FormulaC26H26ClN5O5
Molecular Weight523.98 g/mol
Exact Mass523.16
IUPAC Name5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide
SMILESCCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C2=NOCC2)cc1=O
InChIInChI=1S/C26H26ClN5O5/c1-3-4-22(26(35)30-16-6-8-21(25(28)34)29-13-16)32-14-23(36-2)19(12-24(32)33)18-11-15(27)5-7-17(18)20-9-10-37-31-20/h5-8,11-14,22H,3-4,9-10H2,1-2H3,(H2,28,34)(H,30,35)
InChIKeyWRJUZVZDXJUFIS-UHFFFAOYSA-N
XLogP3.78
TPSA137.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.98
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide with MolForge

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Related Compounds

US10167280, Example 54
CID 118981582
US10167280, Example 53
CID 118981673
US10167280, Example 13
CID 121245924
US10167280, Example 41
CID 121245973
US10167280, Example 46
CID 121245974
US10167280, Example 47
CID 121245982
US10167280, Example 31
CID 121245983
US10167280, Example 50
CID 121245987
US10167280, Example 7
CID 121246011
US10421742, Example 124
CID 135204627
US10421742, Example 155
CID 135205309
US10421742, Example 192
CID 135205370

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide?
The IUPAC name of 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide (CID 135205806) is 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide is CCCC(C(=O)Nc1ccc(C(N)=O)nc1)n1cc(OC)c(-c2cc(Cl)ccc2C2=NOCC2)cc1=O.
What is the InChIKey of 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide?
The InChIKey is WRJUZVZDXJUFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O5/c1-3-4-22(26(35)30-16-6-8-21(25(28)34)29-13-16)32-14-23(36-2)19(12-24(32)33)18-11-15(27)5-7-17(18)20-9-10-37-31-20/h5-8,11-14,22H,3-4,9-10H2,1-2H3,(H2,28,34)(H,30,35).
What are the key properties of 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide?
5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide has a molecular weight of 523.98 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxo-1-pyridinyl]pentanoylamino]pyridine-2-carboxamide is sourced from PubChem (CID 135205806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).