N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide

C18H18N4OS — CID 155514174

IUPACN-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide
SMILESCNC(=O)CCSc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C18H18N4OS/c1-19-18(23)9-11-24-14-6-7-15-16(21-22-17(15)12-14)8-5-13-4-2-3-10-20-13/h2-8,10,12H,9,11H2,1H3,(H,19,23)(H,21,22)/b8-5+
InChIKeyYVWIQAGEAAEAPI-VMPITWQZSA-N
MW338.44 g/mol
LogP3.36
Rot. Bonds6

About N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide

N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide (PubChem CID 155514174) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide
PubChem CID155514174
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide
SMILESCNC(=O)CCSc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C18H18N4OS/c1-19-18(23)9-11-24-14-6-7-15-16(21-22-17(15)12-14)8-5-13-4-2-3-10-20-13/h2-8,10,12H,9,11H2,1H3,(H,19,23)(H,21,22)/b8-5+
InChIKeyYVWIQAGEAAEAPI-VMPITWQZSA-N
XLogP3.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propanamide
CID 175129584
N-methyl-2-[[3-[(Z)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 162040435
3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]-N-[4-(pyrrol-1-ylmethyl)-3-(trifluoromethyl)phenyl]propanamide
CID 175130240
N-[3-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]propyl]furan-2-carboxamide
CID 175136203
N-hydroxy-5-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]phenoxy]pentanamide
CID 91617398
2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]-N-(trideuterio(113C)methyl)benzamide
CID 131871370
2-phenyl-N-[4-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]acetamide
CID 172560802
N'-hydroxy-N-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]phenyl]octanediamide
CID 25225083
8-oxo-8-[2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]anilino]octanoic acid
CID 68894241
methyl 7-oxo-7-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]anilino]heptanoate
CID 162325055
N-ethoxy-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 91606124
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134151813

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide?
The IUPAC name of N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide (CID 155514174) is N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide.
What is the SMILES notation for N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide?
The canonical SMILES for N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide is CNC(=O)CCSc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide?
The InChIKey is YVWIQAGEAAEAPI-VMPITWQZSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-19-18(23)9-11-24-14-6-7-15-16(21-22-17(15)12-14)8-5-13-4-2-3-10-20-13/h2-8,10,12H,9,11H2,1H3,(H,19,23)(H,21,22)/b8-5+.
What are the key properties of N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide?
N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide has a molecular weight of 338.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]propanamide is sourced from PubChem (CID 155514174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).