5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide

C28H25ClN4O4 — CID 171683853

IUPAC5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1ncc(Cl)cc1C(=O)Nc1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1
InChIInChI=1S/C28H25ClN4O4/c1-36-27-24(14-22(29)15-31-27)26(34)32-23-7-5-18(6-8-23)19-9-11-33(12-10-19)28(35)21-4-2-3-20(13-21)25-16-30-17-37-25/h2-8,13-17,19H,9-12H2,1H3,(H,32,34)
InChIKeyCSSYUOSASOHSMO-UHFFFAOYSA-N
MW516.99 g/mol
LogP5.67
Rot. Bonds6

About 5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide

5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide (PubChem CID 171683853) has the molecular formula C28H25ClN4O4 and a molecular weight of 516.99 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide
PubChem CID171683853
Molecular FormulaC28H25ClN4O4
Molecular Weight516.99 g/mol
Exact Mass516.16
IUPAC Name5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide
SMILESCOc1ncc(Cl)cc1C(=O)Nc1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1
InChIInChI=1S/C28H25ClN4O4/c1-36-27-24(14-22(29)15-31-27)26(34)32-23-7-5-18(6-8-23)19-9-11-33(12-10-19)28(35)21-4-2-3-20(13-21)25-16-30-17-37-25/h2-8,13-17,19H,9-12H2,1H3,(H,32,34)
InChIKeyCSSYUOSASOHSMO-UHFFFAOYSA-N
XLogP5.67
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.99
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide (CID 171683853) is 5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide is COc1ncc(Cl)cc1C(=O)Nc1ccc(C2CCN(C(=O)c3cccc(-c4cnco4)c3)CC2)cc1.
What is the InChIKey of 5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is CSSYUOSASOHSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN4O4/c1-36-27-24(14-22(29)15-31-27)26(34)32-23-7-5-18(6-8-23)19-9-11-33(12-10-19)28(35)21-4-2-3-20(13-21)25-16-30-17-37-25/h2-8,13-17,19H,9-12H2,1H3,(H,32,34).
What are the key properties of 5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide?
5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 516.99 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[4-[1-[3-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 171683853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).