N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide

C24H29N3O4 — CID 78150457

IUPACN-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(C2OCC(=O)N(Cc3cccnc3)C2CO)cc1)C1CCCCC1
InChIInChI=1S/C24H29N3O4/c28-15-21-23(31-16-22(29)27(21)14-17-5-4-12-25-13-17)18-8-10-20(11-9-18)26-24(30)19-6-2-1-3-7-19/h4-5,8-13,19,21,23,28H,1-3,6-7,14-16H2,(H,26,30)
InChIKeyTVNJAIMRFPFEIG-UHFFFAOYSA-N
MW423.51 g/mol
LogP3.06
Rot. Bonds6

About N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide

N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 78150457) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
PubChem CID78150457
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(C2OCC(=O)N(Cc3cccnc3)C2CO)cc1)C1CCCCC1
InChIInChI=1S/C24H29N3O4/c28-15-21-23(31-16-22(29)27(21)14-17-5-4-12-25-13-17)18-8-10-20(11-9-18)26-24(30)19-6-2-1-3-7-19/h4-5,8-13,19,21,23,28H,1-3,6-7,14-16H2,(H,26,30)
InChIKeyTVNJAIMRFPFEIG-UHFFFAOYSA-N
XLogP3.06
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide (CID 78150457) is N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(C2OCC(=O)N(Cc3cccnc3)C2CO)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide?
The InChIKey is TVNJAIMRFPFEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c28-15-21-23(31-16-22(29)27(21)14-17-5-4-12-25-13-17)18-8-10-20(11-9-18)26-24(30)19-6-2-1-3-7-19/h4-5,8-13,19,21,23,28H,1-3,6-7,14-16H2,(H,26,30).
What are the key properties of N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide?
N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxymethyl)-5-oxo-4-(pyridin-3-ylmethyl)morpholin-2-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 78150457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).