N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide

C21H27N3O3 — CID 71884973

IUPACN-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)N3CC(C)OC(C)(C)C3)cn2)cc1C
InChIInChI=1S/C21H27N3O3/c1-14-6-8-18(10-15(14)2)26-19-9-7-17(11-22-19)23-20(25)24-12-16(3)27-21(4,5)13-24/h6-11,16H,12-13H2,1-5H3,(H,23,25)
InChIKeyDZTBGZKTCJJWRX-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.52
Rot. Bonds3

About N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide

N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide (PubChem CID 71884973) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide
PubChem CID71884973
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)N3CC(C)OC(C)(C)C3)cn2)cc1C
InChIInChI=1S/C21H27N3O3/c1-14-6-8-18(10-15(14)2)26-19-9-7-17(11-22-19)23-20(25)24-12-16(3)27-21(4,5)13-24/h6-11,16H,12-13H2,1-5H3,(H,23,25)
InChIKeyDZTBGZKTCJJWRX-UHFFFAOYSA-N
XLogP4.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]azepane-1-carboxamide
CID 52628826
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-hydroxycyclopropane-1-carboxamide
CID 154846570
N-(4-cyclopentyloxyphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48640265
N-(4-acetylphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48630543
(6R)-2,2,6-trimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-4-carboxamide
CID 95135103
(2R,3S)-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120939088
4-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55787508
(2R)-2-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]propanamide;dihydrochloride
CID 119849043
3-amino-N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 119849038
N-[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 10150875
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55750200
6-(hydroxymethyl)-N-(4-methoxyphenyl)-2,2-dimethylmorpholine-4-carboxamide
CID 114779052

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide?
The IUPAC name of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide (CID 71884973) is N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide is Cc1ccc(Oc2ccc(NC(=O)N3CC(C)OC(C)(C)C3)cn2)cc1C.
What is the InChIKey of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide?
The InChIKey is DZTBGZKTCJJWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-6-8-18(10-15(14)2)26-19-9-7-17(11-22-19)23-20(25)24-12-16(3)27-21(4,5)13-24/h6-11,16H,12-13H2,1-5H3,(H,23,25).
What are the key properties of N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide?
N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethylphenoxy)-3-pyridinyl]-2,2,6-trimethylmorpholine-4-carboxamide is sourced from PubChem (CID 71884973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).