N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide

C17H18N4OS — CID 167921157

IUPACN-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide
SMILESCCn1ncc2ccc(NC(=O)c3ncccc3CSC)cc21
InChIInChI=1S/C17H18N4OS/c1-3-21-15-9-14(7-6-12(15)10-19-21)20-17(22)16-13(11-23-2)5-4-8-18-16/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyOAHPMQQSMNZQLG-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.57
Rot. Bonds5

About N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide

N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide (PubChem CID 167921157) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide
PubChem CID167921157
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide
SMILESCCn1ncc2ccc(NC(=O)c3ncccc3CSC)cc21
InChIInChI=1S/C17H18N4OS/c1-3-21-15-9-14(7-6-12(15)10-19-21)20-17(22)16-13(11-23-2)5-4-8-18-16/h4-10H,3,11H2,1-2H3,(H,20,22)
InChIKeyOAHPMQQSMNZQLG-UHFFFAOYSA-N
XLogP3.57
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide (CID 167921157) is N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide is CCn1ncc2ccc(NC(=O)c3ncccc3CSC)cc21.
What is the InChIKey of N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
The InChIKey is OAHPMQQSMNZQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-3-21-15-9-14(7-6-12(15)10-19-21)20-17(22)16-13(11-23-2)5-4-8-18-16/h4-10H,3,11H2,1-2H3,(H,20,22).
What are the key properties of N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide?
N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylindazol-6-yl)-3-(methylsulfanylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167921157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).