2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide

C20H25N3O2 — CID 97330861

IUPAC2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide
SMILESCc1cccc([C@@H](NC(=O)N2CCOC(C)(C)C2)c2ccccn2)c1
InChIInChI=1S/C20H25N3O2/c1-15-7-6-8-16(13-15)18(17-9-4-5-10-21-17)22-19(24)23-11-12-25-20(2,3)14-23/h4-10,13,18H,11-12,14H2,1-3H3,(H,22,24)/t18-/m1/s1
InChIKeyWLVFXEQKEXXDOM-GOSISDBHSA-N
MW339.44 g/mol
LogP3.30
Rot. Bonds3

About 2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide

2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide (PubChem CID 97330861) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide
PubChem CID97330861
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide
SMILESCc1cccc([C@@H](NC(=O)N2CCOC(C)(C)C2)c2ccccn2)c1
InChIInChI=1S/C20H25N3O2/c1-15-7-6-8-16(13-15)18(17-9-4-5-10-21-17)22-19(24)23-11-12-25-20(2,3)14-23/h4-10,13,18H,11-12,14H2,1-3H3,(H,22,24)/t18-/m1/s1
InChIKeyWLVFXEQKEXXDOM-GOSISDBHSA-N
XLogP3.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133414635
1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008446
1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid
CID 122008448
3-chloro-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-nitropyridin-2-amine
CID 133414774
2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide
CID 133414724
3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 76975476
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone
CID 55763984
(2S)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202221
N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide
CID 133414835
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]-2,2-dimethylmorpholine-4-carboxamide
CID 96532420

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide (CID 97330861) is 2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide is Cc1cccc([C@@H](NC(=O)N2CCOC(C)(C)C2)c2ccccn2)c1.
What is the InChIKey of 2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide?
The InChIKey is WLVFXEQKEXXDOM-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-7-6-8-16(13-15)18(17-9-4-5-10-21-17)22-19(24)23-11-12-25-20(2,3)14-23/h4-10,13,18H,11-12,14H2,1-3H3,(H,22,24)/t18-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide?
2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide is sourced from PubChem (CID 97330861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).