N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide

C10H12N2OS — CID 12925143

IUPACN-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide
SMILESO=C(NN1CC=CCC1)c1cccs1
InChIInChI=1S/C10H12N2OS/c13-10(9-5-4-8-14-9)11-12-6-2-1-3-7-12/h1-2,4-5,8H,3,6-7H2,(H,11,13)
InChIKeyAJUPTWYJAMEFQQ-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.65
Rot. Bonds2

About N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide

N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide (PubChem CID 12925143) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide
PubChem CID12925143
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC NameN-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide
SMILESO=C(NN1CC=CCC1)c1cccs1
InChIInChI=1S/C10H12N2OS/c13-10(9-5-4-8-14-9)11-12-6-2-1-3-7-12/h1-2,4-5,8H,3,6-7H2,(H,11,13)
InChIKeyAJUPTWYJAMEFQQ-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide (CID 12925143) is N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide is O=C(NN1CC=CCC1)c1cccs1.
What is the InChIKey of N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide?
The InChIKey is AJUPTWYJAMEFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-10(9-5-4-8-14-9)11-12-6-2-1-3-7-12/h1-2,4-5,8H,3,6-7H2,(H,11,13).
What are the key properties of N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide?
N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide has a molecular weight of 208.29 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyridin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 12925143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).