N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

C13H14N2OS — CID 47026003

IUPACN,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H14N2OS/c1-10-5-8-17-12(10)13(16)15(2)9-11-3-6-14-7-4-11/h3-8H,9H2,1-2H3
InChIKeyBTLSXYPUIFNEBK-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.72
Rot. Bonds3

About N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide

N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 47026003) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID47026003
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H14N2OS/c1-10-5-8-17-12(10)13(16)15(2)9-11-3-6-14-7-4-11/h3-8H,9H2,1-2H3
InChIKeyBTLSXYPUIFNEBK-UHFFFAOYSA-N
XLogP2.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide (CID 47026003) is N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is Cc1ccsc1C(=O)N(C)Cc1ccncc1.
What is the InChIKey of N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is BTLSXYPUIFNEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-5-8-17-12(10)13(16)15(2)9-11-3-6-14-7-4-11/h3-8H,9H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide?
N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 47026003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).