N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

C23H29N3O4 — CID 8010898

IUPACN-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(NC[C@H](c1cccnc1)N1CCOCC1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C23H29N3O4/c27-23(18-5-7-20(8-6-18)30-17-21-4-2-12-29-21)25-16-22(19-3-1-9-24-15-19)26-10-13-28-14-11-26/h1,3,5-9,15,21-22H,2,4,10-14,16-17H2,(H,25,27)/t21-,22-/m1/s1
InChIKeyJDRDBDBNEQJBOA-FGZHOGPDSA-N
MW411.50 g/mol
LogP2.44
Rot. Bonds8

About N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 8010898) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID8010898
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(NC[C@H](c1cccnc1)N1CCOCC1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C23H29N3O4/c27-23(18-5-7-20(8-6-18)30-17-21-4-2-12-29-21)25-16-22(19-3-1-9-24-15-19)26-10-13-28-14-11-26/h1,3,5-9,15,21-22H,2,4,10-14,16-17H2,(H,25,27)/t21-,22-/m1/s1
InChIKeyJDRDBDBNEQJBOA-FGZHOGPDSA-N
XLogP2.44
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide with MolForge

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Related Compounds

N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-piperidin-1-ylbenzamide
CID 92626765
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55603157
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 32729367
2-amino-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131922960
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 21007012
[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7705762
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 92680834
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 8010898) is N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is O=C(NC[C@H](c1cccnc1)N1CCOCC1)c1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is JDRDBDBNEQJBOA-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H29N3O4/c27-23(18-5-7-20(8-6-18)30-17-21-4-2-12-29-21)25-16-22(19-3-1-9-24-15-19)26-10-13-28-14-11-26/h1,3,5-9,15,21-22H,2,4,10-14,16-17H2,(H,25,27)/t21-,22-/m1/s1.
What are the key properties of N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 411.50 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 8010898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).