5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide

C17H21N3O2S — CID 117085505

IUPAC5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(-c2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C17H21N3O2S/c1-2-7-18-17(21)15-5-4-14(23-15)13-3-6-16(19-12-13)20-8-10-22-11-9-20/h3-6,12H,2,7-11H2,1H3,(H,18,21)
InChIKeyVWWXJFOOBBUVKJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.79
Rot. Bonds5

About 5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide

5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide (PubChem CID 117085505) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide
PubChem CID117085505
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1ccc(-c2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C17H21N3O2S/c1-2-7-18-17(21)15-5-4-14(23-15)13-3-6-16(19-12-13)20-8-10-22-11-9-20/h3-6,12H,2,7-11H2,1H3,(H,18,21)
InChIKeyVWWXJFOOBBUVKJ-UHFFFAOYSA-N
XLogP2.79
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide?
The IUPAC name of 5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide (CID 117085505) is 5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide is CCCNC(=O)c1ccc(-c2ccc(N3CCOCC3)nc2)s1.
What is the InChIKey of 5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide?
The InChIKey is VWWXJFOOBBUVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-2-7-18-17(21)15-5-4-14(23-15)13-3-6-16(19-12-13)20-8-10-22-11-9-20/h3-6,12H,2,7-11H2,1H3,(H,18,21).
What are the key properties of 5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide?
5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-morpholin-4-yl-3-pyridinyl)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 117085505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).