N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide

C21H25N3O4 — CID 147810593

IUPACN-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)N(Cc2ccc(C(=O)CO)cc2)c2ccccn2)CC(C)O1
InChIInChI=1S/C21H25N3O4/c1-15-11-23(12-16(2)28-15)21(27)24(20-5-3-4-10-22-20)13-17-6-8-18(9-7-17)19(26)14-25/h3-10,15-16,25H,11-14H2,1-2H3
InChIKeyHNHNDNRGARUINL-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.49
Rot. Bonds5

About N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide

N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide (PubChem CID 147810593) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide
PubChem CID147810593
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)N(Cc2ccc(C(=O)CO)cc2)c2ccccn2)CC(C)O1
InChIInChI=1S/C21H25N3O4/c1-15-11-23(12-16(2)28-15)21(27)24(20-5-3-4-10-22-20)13-17-6-8-18(9-7-17)19(26)14-25/h3-10,15-16,25H,11-14H2,1-2H3
InChIKeyHNHNDNRGARUINL-UHFFFAOYSA-N
XLogP2.49
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-4-methylphenyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 161007289
N-pyridin-2-yl-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide
CID 159594359
N-(5-chloro-2-pyridinyl)-N-[[4-(2-hydroxyacetyl)phenyl]methyl]morpholine-4-carboxamide
CID 146940002
N-(2-fluoro-4-methylphenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2,6-dimethylmorpholine-4-carboxamide
CID 86281861
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridin-2-ylsulfanylethanone
CID 25337251
(3S)-N-benzyl-3-methyl-1-oxo-N-pyridin-2-yl-4H-isochromene-3-carboxamide
CID 25351839
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36701987
potassium 4-[[methyl(pyridin-2-yl)amino]methyl]benzoate
CID 67046735
N-[[4-(2-methylcyclohexyl)phenyl]methyl]-N-pyridin-2-ylacetamide
CID 142122775
[4-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42754477
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
4-[[[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 51227491

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide?
The IUPAC name of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide (CID 147810593) is N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide.
What is the SMILES notation for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide?
The canonical SMILES for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide is CC1CN(C(=O)N(Cc2ccc(C(=O)CO)cc2)c2ccccn2)CC(C)O1.
What is the InChIKey of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide?
The InChIKey is HNHNDNRGARUINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-15-11-23(12-16(2)28-15)21(27)24(20-5-3-4-10-22-20)13-17-6-8-18(9-7-17)19(26)14-25/h3-10,15-16,25H,11-14H2,1-2H3.
What are the key properties of N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide?
N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxyacetyl)phenyl]methyl]-2,6-dimethyl-N-pyridin-2-ylmorpholine-4-carboxamide is sourced from PubChem (CID 147810593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).