N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide

C16H19N3O2S — CID 3242773

IUPACN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)c1cccs1
InChIInChI=1S/C16H19N3O2S/c20-16(15-4-2-10-22-15)18-12-14(13-3-1-5-17-11-13)19-6-8-21-9-7-19/h1-5,10-11,14H,6-9,12H2,(H,18,20)
InChIKeyNOUNZHWNUKXJSW-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.95
Rot. Bonds5

About N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide

N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide (PubChem CID 3242773) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide
PubChem CID3242773
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCOCC1)c1cccs1
InChIInChI=1S/C16H19N3O2S/c20-16(15-4-2-10-22-15)18-12-14(13-3-1-5-17-11-13)19-6-8-21-9-7-19/h1-5,10-11,14H,6-9,12H2,(H,18,20)
InChIKeyNOUNZHWNUKXJSW-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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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide (CID 3242773) is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide is O=C(NCC(c1cccnc1)N1CCOCC1)c1cccs1.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is NOUNZHWNUKXJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-16(15-4-2-10-22-15)18-12-14(13-3-1-5-17-11-13)19-6-8-21-9-7-19/h1-5,10-11,14H,6-9,12H2,(H,18,20).
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-carboxamide?
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)thiophene-2-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-pyridin-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 3242773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).