N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide

C20H21N5O — CID 71865976

IUPACN-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide
SMILESCN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H21N5O/c1-24(2)8-9-25(14-16-5-3-4-15(10-16)12-21)20(26)17-6-7-19-18(11-17)13-22-23-19/h3-7,10-11,13H,8-9,14H2,1-2H3,(H,22,23)
InChIKeyIVILHWASTFRBIN-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.64
Rot. Bonds6

About N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide

N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide (PubChem CID 71865976) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide
PubChem CID71865976
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide
SMILESCN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H21N5O/c1-24(2)8-9-25(14-16-5-3-4-15(10-16)12-21)20(26)17-6-7-19-18(11-17)13-22-23-19/h3-7,10-11,13H,8-9,14H2,1-2H3,(H,22,23)
InChIKeyIVILHWASTFRBIN-UHFFFAOYSA-N
XLogP2.64
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide
CID 60573923
N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]but-2-ynamide
CID 146083512
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide
CID 55717328
N-[(3-cyanophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(dimethylamino)ethyl]-4-oxobutanamide
CID 60622735
3-(1H-indazol-5-yloxymethyl)benzonitrile
CID 18447114
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
2-[(3-cyanophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425157
N-cyano-1H-indazole-5-carboxamide
CID 79195271
3-[[methyl-(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)amino]methyl]benzonitrile
CID 137268049
N-[(4-chlorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 52819475
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 167942565
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 60622718

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide (CID 71865976) is N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide is CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide?
The InChIKey is IVILHWASTFRBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-24(2)8-9-25(14-16-5-3-4-15(10-16)12-21)20(26)17-6-7-19-18(11-17)13-22-23-19/h3-7,10-11,13H,8-9,14H2,1-2H3,(H,22,23).
What are the key properties of N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide?
N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 71865976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).