N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide

C11H10N2OS — CID 174726356

IUPACN-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide
SMILESO=CNCc1cccc(-c2ccsc2)n1
InChIInChI=1S/C11H10N2OS/c14-8-12-6-10-2-1-3-11(13-10)9-4-5-15-7-9/h1-5,7-8H,6H2,(H,12,14)
InChIKeyKCJMKLLCHSEQGT-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.06
Rot. Bonds4

About N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide

N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide (PubChem CID 174726356) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide.

Molecular Properties

Compound NameN-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide
PubChem CID174726356
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC NameN-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide
SMILESO=CNCc1cccc(-c2ccsc2)n1
InChIInChI=1S/C11H10N2OS/c14-8-12-6-10-2-1-3-11(13-10)9-4-5-15-7-9/h1-5,7-8H,6H2,(H,12,14)
InChIKeyKCJMKLLCHSEQGT-UHFFFAOYSA-N
XLogP2.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide?
The IUPAC name of N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide (CID 174726356) is N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide.
What is the SMILES notation for N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide?
The canonical SMILES for N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide is O=CNCc1cccc(-c2ccsc2)n1.
What is the InChIKey of N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide?
The InChIKey is KCJMKLLCHSEQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c14-8-12-6-10-2-1-3-11(13-10)9-4-5-15-7-9/h1-5,7-8H,6H2,(H,12,14).
What are the key properties of N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide?
N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide has a molecular weight of 218.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-thiophen-3-yl-2-pyridinyl)methyl]formamide is sourced from PubChem (CID 174726356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).