N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide

C16H19N3O2S — CID 53119696

IUPACN-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccnc(-c2cccs2)c1
InChIInChI=1S/C16H19N3O2S/c20-16(18-5-6-19-7-9-21-10-8-19)13-3-4-17-14(12-13)15-2-1-11-22-15/h1-4,11-12H,5-10H2,(H,18,20)
InChIKeyWSVMABWLDXFFLI-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.87
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide

N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide (PubChem CID 53119696) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide
PubChem CID53119696
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1ccnc(-c2cccs2)c1
InChIInChI=1S/C16H19N3O2S/c20-16(18-5-6-19-7-9-21-10-8-19)13-3-4-17-14(12-13)15-2-1-11-22-15/h1-4,11-12H,5-10H2,(H,18,20)
InChIKeyWSVMABWLDXFFLI-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide (CID 53119696) is N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide is O=C(NCCN1CCOCC1)c1ccnc(-c2cccs2)c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide?
The InChIKey is WSVMABWLDXFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-16(18-5-6-19-7-9-21-10-8-19)13-3-4-17-14(12-13)15-2-1-11-22-15/h1-4,11-12H,5-10H2,(H,18,20).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 1.87, 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-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 53119696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).