2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide

C22H21N5O — CID 177233124

IUPAC2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
SMILESCN(C)c1cccc(CC(=O)Nc2n[nH]c3ccc(-c4cccnc4)cc23)c1
InChIInChI=1S/C22H21N5O/c1-27(2)18-7-3-5-15(11-18)12-21(28)24-22-19-13-16(8-9-20(19)25-26-22)17-6-4-10-23-14-17/h3-11,13-14H,12H2,1-2H3,(H2,24,25,26,28)
InChIKeyOAYMXVFWFNABFW-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.87
Rot. Bonds5

About 2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide

2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide (PubChem CID 177233124) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
PubChem CID177233124
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
SMILESCN(C)c1cccc(CC(=O)Nc2n[nH]c3ccc(-c4cccnc4)cc23)c1
InChIInChI=1S/C22H21N5O/c1-27(2)18-7-3-5-15(11-18)12-21(28)24-22-19-13-16(8-9-20(19)25-26-22)17-6-4-10-23-14-17/h3-11,13-14H,12H2,1-2H3,(H2,24,25,26,28)
InChIKeyOAYMXVFWFNABFW-UHFFFAOYSA-N
XLogP3.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 177233289
2-(1,3-benzodioxol-5-yl)-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 177233443
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
CID 177233153
2-phenyl-N-(5-phenyl-1H-indazol-3-yl)acetamide
CID 169493092
N-(1H-indazol-3-yl)-2-(3-methylphenyl)acetamide
CID 62686567
N-cyclopropyl-4-[3-(dimethylamino)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 119064910
5-pyridin-3-yl-1H-indazol-3-amine
CID 59023862
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123214472
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(pyridin-3-ylsulfonylamino)-1H-indazol-3-yl]acetamide
CID 177233074
2-N,2-N-dimethyl-5-N-[1-(5-pyridin-3-yl-1H-indazol-3-yl)ethenyl]pyridine-2,5-diamine
CID 142333796
N-(5-pyridin-3-yl-1H-thieno[3,2-c]pyrazol-3-yl)butanamide
CID 156775018
N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine
CID 145252791

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The IUPAC name of 2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide (CID 177233124) is 2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide is CN(C)c1cccc(CC(=O)Nc2n[nH]c3ccc(-c4cccnc4)cc23)c1.
What is the InChIKey of 2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The InChIKey is OAYMXVFWFNABFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-27(2)18-7-3-5-15(11-18)12-21(28)24-22-19-13-16(8-9-20(19)25-26-22)17-6-4-10-23-14-17/h3-11,13-14H,12H2,1-2H3,(H2,24,25,26,28).
What are the key properties of 2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide?
2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)phenyl]-N-(5-pyridin-3-yl-1H-indazol-3-yl)acetamide is sourced from PubChem (CID 177233124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).