N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide

C29H22N4O2 — CID 91592587

IUPACN-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1cccc(C(=O)c2ccc3c(C=Cc4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C29H22N4O2/c34-28(19-23-10-4-5-16-30-23)31-24-11-6-9-21(17-24)29(35)22-13-14-25-26(32-33-27(25)18-22)15-12-20-7-2-1-3-8-20/h1-18H,19H2,(H,31,34)(H,32,33)
InChIKeyWEGYMKKCZVQVKD-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.54
Rot. Bonds7

About N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide

N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide (PubChem CID 91592587) has the molecular formula C29H22N4O2 and a molecular weight of 458.52 g/mol. Its IUPAC name is N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide
PubChem CID91592587
Molecular FormulaC29H22N4O2
Molecular Weight458.52 g/mol
Exact Mass458.17
IUPAC NameN-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1cccc(C(=O)c2ccc3c(C=Cc4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C29H22N4O2/c34-28(19-23-10-4-5-16-30-23)31-24-11-6-9-21(17-24)29(35)22-13-14-25-26(32-33-27(25)18-22)15-12-20-7-2-1-3-8-20/h1-18H,19H2,(H,31,34)(H,32,33)
InChIKeyWEGYMKKCZVQVKD-UHFFFAOYSA-N
XLogP5.54
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)phenyl]-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanone
CID 142037641
(E)-2-methyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enamide
CID 134151491
(2R)-2-hydroxy-3,3-dimethyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
CID 134138437
2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
CID 22978337
(E)-N-(cyclopropylmethyl)-N'-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]but-2-enediamide
CID 134152211
N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1,2-oxazole-4-carboxamide
CID 69370068
2-(2-methylphenyl)-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]butanamide
CID 134146773
4-oxo-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]pyran-2-carboxamide
CID 134145225
2-(2,6-difluorophenyl)-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
CID 134149402
(3-aminophenyl)-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]methanol;N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
CID 158718696
[3-[[(E)-but-2-enyl]amino]phenyl]-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]methanone
CID 70128556
2-phenyl-N-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]acetamide
CID 46886304

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide (CID 91592587) is N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1cccc(C(=O)c2ccc3c(C=Cc4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide?
The InChIKey is WEGYMKKCZVQVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N4O2/c34-28(19-23-10-4-5-16-30-23)31-24-11-6-9-21(17-24)29(35)22-13-14-25-26(32-33-27(25)18-22)15-12-20-7-2-1-3-8-20/h1-18H,19H2,(H,31,34)(H,32,33).
What are the key properties of N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide?
N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide has a molecular weight of 458.52 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-phenylethenyl)-1H-indazole-6-carbonyl]phenyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 91592587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).