(2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide

C20H25N3O4 — CID 95724930

IUPAC(2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
SMILESCOc1cccc(CN(Cc2cccnc2)C(=O)[C@H]2CNCCO2)c1OC
InChIInChI=1S/C20H25N3O4/c1-25-17-7-3-6-16(19(17)26-2)14-23(13-15-5-4-8-21-11-15)20(24)18-12-22-9-10-27-18/h3-8,11,18,22H,9-10,12-14H2,1-2H3/t18-/m1/s1
InChIKeyCKZJYXFGQVZYQT-GOSISDBHSA-N
MW371.44 g/mol
LogP1.62
Rot. Bonds7

About (2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide

(2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide (PubChem CID 95724930) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
PubChem CID95724930
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name(2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
SMILESCOc1cccc(CN(Cc2cccnc2)C(=O)[C@H]2CNCCO2)c1OC
InChIInChI=1S/C20H25N3O4/c1-25-17-7-3-6-16(19(17)26-2)14-23(13-15-5-4-8-21-11-15)20(24)18-12-22-9-10-27-18/h3-8,11,18,22H,9-10,12-14H2,1-2H3/t18-/m1/s1
InChIKeyCKZJYXFGQVZYQT-GOSISDBHSA-N
XLogP1.62
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(pyridin-3-ylmethyl)-N-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 74237314
cis-(1S,3R)-3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 133109618
(3R)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95046458
3-(2,4-dimethoxyphenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 4250092
N-cyclopentyl-N-[(2-methoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 154909292
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119770882
N-cyclopropyl-2-morpholin-2-yl-N-(pyridin-3-ylmethyl)acetamide
CID 66428274
N-(cyclopropylmethyl)-N-[(3-hydroxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119759596
N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 129340589
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 46989447
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
CID 119807977

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide (CID 95724930) is (2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide is COc1cccc(CN(Cc2cccnc2)C(=O)[C@H]2CNCCO2)c1OC.
What is the InChIKey of (2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide?
The InChIKey is CKZJYXFGQVZYQT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-17-7-3-6-16(19(17)26-2)14-23(13-15-5-4-8-21-11-15)20(24)18-12-22-9-10-27-18/h3-8,11,18,22H,9-10,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide?
(2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 95724930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).