N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide

C17H21N3O2S — CID 42595620

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C17H21N3O2S/c21-16(6-5-15-4-2-12-23-15)19-13-14-3-1-7-18-17(14)20-8-10-22-11-9-20/h1-4,7,12H,5-6,8-11,13H2,(H,19,21)
InChIKeyOEVLVLWMIRRWTN-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.23
Rot. Bonds6

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 42595620) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID42595620
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C17H21N3O2S/c21-16(6-5-15-4-2-12-23-15)19-13-14-3-1-7-18-17(14)20-8-10-22-11-9-20/h1-4,7,12H,5-6,8-11,13H2,(H,19,21)
InChIKeyOEVLVLWMIRRWTN-UHFFFAOYSA-N
XLogP2.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.23
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-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide (CID 42595620) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCc1cccnc1N1CCOCC1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is OEVLVLWMIRRWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-16(6-5-15-4-2-12-23-15)19-13-14-3-1-7-18-17(14)20-8-10-22-11-9-20/h1-4,7,12H,5-6,8-11,13H2,(H,19,21).
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 331.44 g/mol, XLogP of 2.23, 6 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-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 42595620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).