2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide

C16H19N3O2S — CID 71919519

IUPAC2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCc2ccccn2)CC(c2ccsc2)O1
InChIInChI=1S/C16H19N3O2S/c1-12-9-19(10-15(21-12)13-5-7-22-11-13)16(20)18-8-14-4-2-3-6-17-14/h2-7,11-12,15H,8-10H2,1H3,(H,18,20)
InChIKeyCDDMJUARYCRUGW-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.81
Rot. Bonds3

About 2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide

2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 71919519) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID71919519
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCC1CN(C(=O)NCc2ccccn2)CC(c2ccsc2)O1
InChIInChI=1S/C16H19N3O2S/c1-12-9-19(10-15(21-12)13-5-7-22-11-13)16(20)18-8-14-4-2-3-6-17-14/h2-7,11-12,15H,8-10H2,1H3,(H,18,20)
InChIKeyCDDMJUARYCRUGW-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919520
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851920
(2S,6R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97320853
(2R,6S)-2-methyl-N-(3-pyrazol-1-ylpropyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97093234
(2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 124885588
1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851940
2-methyl-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 136514767
(2S,6S)-N-(5-hydroxy-4,4-dimethylpentyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97093223
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97074965
(2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97225798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of 2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide (CID 71919519) is 2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for 2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide is CC1CN(C(=O)NCc2ccccn2)CC(c2ccsc2)O1.
What is the InChIKey of 2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is CDDMJUARYCRUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-12-9-19(10-15(21-12)13-5-7-22-11-13)16(20)18-8-14-4-2-3-6-17-14/h2-7,11-12,15H,8-10H2,1H3,(H,18,20).
What are the key properties of 2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide?
2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 71919519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).