N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide

C17H21N3O2S — CID 3242080

IUPACN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C17H21N3O2S/c1-13(19-17(21)14-4-6-18-7-5-14)16(15-3-2-12-23-15)20-8-10-22-11-9-20/h2-7,12-13,16H,8-11H2,1H3,(H,19,21)
InChIKeyLAYHDBGCZFSIEI-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.33
Rot. Bonds5

About N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide

N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 3242080) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID3242080
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)C(c1cccs1)N1CCOCC1
InChIInChI=1S/C17H21N3O2S/c1-13(19-17(21)14-4-6-18-7-5-14)16(15-3-2-12-23-15)20-8-10-22-11-9-20/h2-7,12-13,16H,8-11H2,1H3,(H,19,21)
InChIKeyLAYHDBGCZFSIEI-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide (CID 3242080) is N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide is CC(NC(=O)c1ccncc1)C(c1cccs1)N1CCOCC1.
What is the InChIKey of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is LAYHDBGCZFSIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13(19-17(21)14-4-6-18-7-5-14)16(15-3-2-12-23-15)20-8-10-22-11-9-20/h2-7,12-13,16H,8-11H2,1H3,(H,19,21).
What are the key properties of N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide?
N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 3242080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).