2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide

C18H28N4O3 — CID 47850387

IUPAC2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCOc1ncccc1NC(=O)N1CCCC1CN1CC(C)OC(C)C1
InChIInChI=1S/C18H28N4O3/c1-13-10-21(11-14(2)25-13)12-15-6-5-9-22(15)18(23)20-16-7-4-8-19-17(16)24-3/h4,7-8,13-15H,5-6,9-12H2,1-3H3,(H,20,23)
InChIKeyVTKBHAYINYLUKD-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.20
Rot. Bonds4

About 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide

2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 47850387) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID47850387
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCOc1ncccc1NC(=O)N1CCCC1CN1CC(C)OC(C)C1
InChIInChI=1S/C18H28N4O3/c1-13-10-21(11-14(2)25-13)12-15-6-5-9-22(15)18(23)20-16-7-4-8-19-17(16)24-3/h4,7-8,13-15H,5-6,9-12H2,1-3H3,(H,20,23)
InChIKeyVTKBHAYINYLUKD-UHFFFAOYSA-N
XLogP2.20
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 47075835
(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 100841076
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95045652
(2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
CID 100854288
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(1-ethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 94783876
(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 52502579
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 95157617
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
[(2S)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 94800092
(2S)-N-(2-chloro-3-pyridinyl)-2-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 97453908

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide (CID 47850387) is 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide is COc1ncccc1NC(=O)N1CCCC1CN1CC(C)OC(C)C1.
What is the InChIKey of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is VTKBHAYINYLUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-10-21(11-14(2)25-13)12-15-6-5-9-22(15)18(23)20-16-7-4-8-19-17(16)24-3/h4,7-8,13-15H,5-6,9-12H2,1-3H3,(H,20,23).
What are the key properties of 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide?
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47850387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).