N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide

C15H21FN2OS — CID 50954361

IUPACN-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCC1=CCCN(CCCF)C1)c1cccs1
InChIInChI=1S/C15H21FN2OS/c16-7-3-10-18-9-1-4-13(12-18)6-8-17-15(19)14-5-2-11-20-14/h2,4-5,11H,1,3,6-10,12H2,(H,17,19)
InChIKeyPARBZFVYWWDNKW-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.86
Rot. Bonds7

About N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide

N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide (PubChem CID 50954361) has the molecular formula C15H21FN2OS and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide
PubChem CID50954361
Molecular FormulaC15H21FN2OS
Molecular Weight296.41 g/mol
Exact Mass296.14
IUPAC NameN-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCC1=CCCN(CCCF)C1)c1cccs1
InChIInChI=1S/C15H21FN2OS/c16-7-3-10-18-9-1-4-13(12-18)6-8-17-15(19)14-5-2-11-20-14/h2,4-5,11H,1,3,6-10,12H2,(H,17,19)
InChIKeyPARBZFVYWWDNKW-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexylthiophene-2-carboxamide
CID 855035
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
N-cyclopentyl-5-methylthiophene-2-carboxamide
CID 2373236
tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
tert-butyl 4-{[(2-thienylcarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810469
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 1245731
N-cyclooctylthiophene-2-carboxamide
CID 673377
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
3-methyl-N-(2-methylcyclohexyl)thiophene-2-carboxamide
CID 25162656

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide (CID 50954361) is N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide is O=C(NCCC1=CCCN(CCCF)C1)c1cccs1.
What is the InChIKey of N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is PARBZFVYWWDNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2OS/c16-7-3-10-18-9-1-4-13(12-18)6-8-17-15(19)14-5-2-11-20-14/h2,4-5,11H,1,3,6-10,12H2,(H,17,19).
What are the key properties of N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide?
N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-fluoropropyl)-3,6-dihydro-2H-pyridin-5-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 50954361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).