6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide

C16H18ClN3O2S — CID 31334942

IUPAC6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Cl)nc1
InChIInChI=1S/C16H18ClN3O2S/c17-15-4-3-12(10-18-15)16(21)19-11-13(14-2-1-9-23-14)20-5-7-22-8-6-20/h1-4,9-10,13H,5-8,11H2,(H,19,21)/t13-/m0/s1
InChIKeyTXORVQYGNMUOCE-ZDUSSCGKSA-N
MW351.86 g/mol
LogP2.60
Rot. Bonds5

About 6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide

6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide (PubChem CID 31334942) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
PubChem CID31334942
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Cl)nc1
InChIInChI=1S/C16H18ClN3O2S/c17-15-4-3-12(10-18-15)16(21)19-11-13(14-2-1-9-23-14)20-5-7-22-8-6-20/h1-4,9-10,13H,5-8,11H2,(H,19,21)/t13-/m0/s1
InChIKeyTXORVQYGNMUOCE-ZDUSSCGKSA-N
XLogP2.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 30386631
5,6-dichloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 2509986
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 47007223
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
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-phenylmethoxybenzamide
CID 2510532
6-chloro-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 134027027
3,4,5-trimethoxy-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 9094127
2-(4-chlorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 4964221
5-chloro-2-fluoro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 18148637
4-(3,5-dimethylpyrazol-1-yl)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 31404253

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide (CID 31334942) is 6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide is O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
The InChIKey is TXORVQYGNMUOCE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c17-15-4-3-12(10-18-15)16(21)19-11-13(14-2-1-9-23-14)20-5-7-22-8-6-20/h1-4,9-10,13H,5-8,11H2,(H,19,21)/t13-/m0/s1.
What are the key properties of 6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide?
6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 31334942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).