N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

C25H25N5O — CID 134135082

IUPACN-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C25H25N5O/c1-17(2)16-27-25(31)21-8-3-4-9-22(21)28-19-10-12-20-23(29-30-24(20)15-19)13-11-18-7-5-6-14-26-18/h3-15,17,28H,16H2,1-2H3,(H,27,31)(H,29,30)/b13-11+
InChIKeyAQYXKYVLDIWONM-ACCUITESSA-N
MW411.51 g/mol
LogP5.26
Rot. Bonds7

About N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide

N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (PubChem CID 134135082) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
PubChem CID134135082
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
InChIInChI=1S/C25H25N5O/c1-17(2)16-27-25(31)21-8-3-4-9-22(21)28-19-10-12-20-23(29-30-24(20)15-19)13-11-18-7-5-6-14-26-18/h3-15,17,28H,16H2,1-2H3,(H,27,31)(H,29,30)/b13-11+
InChIKeyAQYXKYVLDIWONM-ACCUITESSA-N
XLogP5.26
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134134475
N-(2-amino-2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134158044
N-[2-[di(propan-2-yl)amino]ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134140703
N-[(2-methylphenyl)methyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134137452
N-butan-2-yl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134156418
N-(1,3-dihydroxypropan-2-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134136143
N'-methylsulfonyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzohydrazide
CID 134139530
N-[2-(4-aminophenyl)ethyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134138951
N-cyclobutyl-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]benzamide
CID 69353118
N-(5-amino-1H-1,2,4-triazol-3-yl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide
CID 134131728
2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 134139398
2-[[3-[(E)-2-(4-methyl-2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 10253717

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide (CID 134135082) is N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is CC(C)CNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1.
What is the InChIKey of N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
The InChIKey is AQYXKYVLDIWONM-ACCUITESSA-N. The full InChI is InChI=1S/C25H25N5O/c1-17(2)16-27-25(31)21-8-3-4-9-22(21)28-19-10-12-20-23(29-30-24(20)15-19)13-11-18-7-5-6-14-26-18/h3-15,17,28H,16H2,1-2H3,(H,27,31)(H,29,30)/b13-11+.
What are the key properties of N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide?
N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide has a molecular weight of 411.51 g/mol, XLogP of 5.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]amino]benzamide is sourced from PubChem (CID 134135082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).