N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide

C19H21N3O3 — CID 26826397

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2n[nH]c3ccccc23)cc1OC
InChIInChI=1S/C19H21N3O3/c1-22(11-10-13-8-9-16(24-2)17(12-13)25-3)19(23)18-14-6-4-5-7-15(14)20-21-18/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeyPZICDXRBOVSCKD-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.89
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 26826397) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID26826397
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2n[nH]c3ccccc23)cc1OC
InChIInChI=1S/C19H21N3O3/c1-22(11-10-13-8-9-16(24-2)17(12-13)25-3)19(23)18-14-6-4-5-7-15(14)20-21-18/h4-9,12H,10-11H2,1-3H3,(H,20,21)
InChIKeyPZICDXRBOVSCKD-UHFFFAOYSA-N
XLogP2.89
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 27856730
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-oxo-3-propylphthalazine-1-carboxamide
CID 26826362
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
CID 26739400
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
CID 26826456
[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31332821
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288266
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 26587111
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
CID 770468
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18119662

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide (CID 26826397) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide is COc1ccc(CCN(C)C(=O)c2n[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is PZICDXRBOVSCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22(11-10-13-8-9-16(24-2)17(12-13)25-3)19(23)18-14-6-4-5-7-15(14)20-21-18/h4-9,12H,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 26826397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).