5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide

C16H22ClN3O4 — CID 51120675

IUPAC5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCC(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C16H22ClN3O4/c1-11(2)24-16-13(17)9-12(10-19-16)15(22)18-4-3-14(21)20-5-7-23-8-6-20/h9-11H,3-8H2,1-2H3,(H,18,22)
InChIKeyZNWSUEUIQIPPMU-UHFFFAOYSA-N
MW355.82 g/mol
LogP1.50
Rot. Bonds6

About 5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide

5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 51120675) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is 5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID51120675
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC Name5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)NCCC(=O)N2CCOCC2)cc1Cl
InChIInChI=1S/C16H22ClN3O4/c1-11(2)24-16-13(17)9-12(10-19-16)15(22)18-4-3-14(21)20-5-7-23-8-6-20/h9-11H,3-8H2,1-2H3,(H,18,22)
InChIKeyZNWSUEUIQIPPMU-UHFFFAOYSA-N
XLogP1.50
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide (CID 51120675) is 5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ncc(C(=O)NCCC(=O)N2CCOCC2)cc1Cl.
What is the InChIKey of 5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is ZNWSUEUIQIPPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4/c1-11(2)24-16-13(17)9-12(10-19-16)15(22)18-4-3-14(21)20-5-7-23-8-6-20/h9-11H,3-8H2,1-2H3,(H,18,22).
What are the key properties of 5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide?
5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 355.82 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-morpholin-4-yl-3-oxopropyl)-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 51120675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).