N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide

C16H20N4O2S — CID 91815696

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESCc1nccn1CCNC(=O)c1cccnc1OC1CCSC1
InChIInChI=1S/C16H20N4O2S/c1-12-17-6-8-20(12)9-7-18-15(21)14-3-2-5-19-16(14)22-13-4-10-23-11-13/h2-3,5-6,8,13H,4,7,9-11H2,1H3,(H,18,21)
InChIKeyAXISWUPGBYDGGD-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.90
Rot. Bonds6

About N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide

N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide (PubChem CID 91815696) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
PubChem CID91815696
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide
SMILESCc1nccn1CCNC(=O)c1cccnc1OC1CCSC1
InChIInChI=1S/C16H20N4O2S/c1-12-17-6-8-20(12)9-7-18-15(21)14-3-2-5-19-16(14)22-13-4-10-23-11-13/h2-3,5-6,8,13H,4,7,9-11H2,1H3,(H,18,21)
InChIKeyAXISWUPGBYDGGD-UHFFFAOYSA-N
XLogP1.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide (CID 91815696) is N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide is Cc1nccn1CCNC(=O)c1cccnc1OC1CCSC1.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
The InChIKey is AXISWUPGBYDGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-12-17-6-8-20(12)9-7-18-15(21)14-3-2-5-19-16(14)22-13-4-10-23-11-13/h2-3,5-6,8,13H,4,7,9-11H2,1H3,(H,18,21).
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide?
N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]-2-(thiolan-3-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 91815696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).