N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide

C16H19N3O2S — CID 47007223

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccncc1
InChIInChI=1S/C16H19N3O2S/c20-16(13-3-5-17-6-4-13)18-12-14(15-2-1-11-22-15)19-7-9-21-10-8-19/h1-6,11,14H,7-10,12H2,(H,18,20)
InChIKeyOTBMLNRRGUASKB-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.95
Rot. Bonds5

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide (PubChem CID 47007223) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
PubChem CID47007223
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1ccncc1
InChIInChI=1S/C16H19N3O2S/c20-16(13-3-5-17-6-4-13)18-12-14(15-2-1-11-22-15)19-7-9-21-10-8-19/h1-6,11,14H,7-10,12H2,(H,18,20)
InChIKeyOTBMLNRRGUASKB-UHFFFAOYSA-N
XLogP1.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide;hydrochloride
CID 52984970
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533
4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 17405365
6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 31334942
6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631
3-acetamido-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18150838
5,6-dichloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 2509986
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
CID 7713761
N-[(2R)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 37050347
4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 31404253
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17405220
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-phenylmethoxybenzamide
CID 2510532

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide (CID 47007223) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide is O=C(NCC(c1cccs1)N1CCOCC1)c1ccncc1.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is OTBMLNRRGUASKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-16(13-3-5-17-6-4-13)18-12-14(15-2-1-11-22-15)19-7-9-21-10-8-19/h1-6,11,14H,7-10,12H2,(H,18,20).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 47007223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).