N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide

C20H21N5O — CID 60573923

IUPACN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C20H21N5O/c1-24(2)10-11-25(14-16-8-6-15(12-21)7-9-16)20(26)18-5-3-4-17-13-22-23-19(17)18/h3-9,13H,10-11,14H2,1-2H3,(H,22,23)
InChIKeyBREKDBWJHJKAJX-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.64
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide

N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide (PubChem CID 60573923) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide
PubChem CID60573923
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C20H21N5O/c1-24(2)10-11-25(14-16-8-6-15(12-21)7-9-16)20(26)18-5-3-4-17-13-22-23-19(17)18/h3-9,13H,10-11,14H2,1-2H3,(H,22,23)
InChIKeyBREKDBWJHJKAJX-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-[(3-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide
CID 71865976
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide
CID 55717328
1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea
CID 78894452
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55779717
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 167942565
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indazole-7-carboxamide
CID 33033043
methyl 6-[(4-cyanophenyl)methyl-[2-(dimethylamino)ethyl]carbamoyl]pyridine-3-carboxylate
CID 60573978
N-[(4-cyanophenyl)methyl]-N-methylnaphthalene-1-carboxamide
CID 39858954
2-[1H-indazole-7-carbonyl(2-methylpropyl)amino]acetic acid
CID 119193195
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzonitrile
CID 55149643
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-5-nitro-1H-indazole-3-carboxamide
CID 60574064
methyl 4-[1H-indazole-7-carbonyl(methyl)amino]butanoate
CID 39491409

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide (CID 60573923) is N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide is CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc2cn[nH]c12.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide?
The InChIKey is BREKDBWJHJKAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-24(2)10-11-25(14-16-8-6-15(12-21)7-9-16)20(26)18-5-3-4-17-13-22-23-19(17)18/h3-9,13H,10-11,14H2,1-2H3,(H,22,23).
What are the key properties of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide?
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-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-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 60573923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).