N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide

C22H20N4O2 — CID 99519272

IUPACN-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(Oc2cc(CNC(=O)c3n[nH]c4ccccc34)ccn2)cc1C
InChIInChI=1S/C22H20N4O2/c1-14-7-8-17(11-15(14)2)28-20-12-16(9-10-23-20)13-24-22(27)21-18-5-3-4-6-19(18)25-26-21/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyJCTPTDJRDGWMJG-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.30
Rot. Bonds5

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

N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide (PubChem CID 99519272) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide
PubChem CID99519272
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(Oc2cc(CNC(=O)c3n[nH]c4ccccc34)ccn2)cc1C
InChIInChI=1S/C22H20N4O2/c1-14-7-8-17(11-15(14)2)28-20-12-16(9-10-23-20)13-24-22(27)21-18-5-3-4-6-19(18)25-26-21/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyJCTPTDJRDGWMJG-UHFFFAOYSA-N
XLogP4.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 37017710
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858386
1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110968842
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-4-(methylamino)-3-nitrobenzamide
CID 60515161
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-[2-[[2-(4-fluorophenoxy)-4-pyridinyl]methylamino]-2-oxoethyl]propanamide
CID 51104118
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 62296267
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
aminomethyl 2-ethoxy-5-[(1H-indazole-3-carbonylamino)methyl]benzoate
CID 170365162
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide (CID 99519272) is N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide is Cc1ccc(Oc2cc(CNC(=O)c3n[nH]c4ccccc34)ccn2)cc1C.
What is the InChIKey of N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is JCTPTDJRDGWMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-7-8-17(11-15(14)2)28-20-12-16(9-10-23-20)13-24-22(27)21-18-5-3-4-6-19(18)25-26-21/h3-12H,13H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide?
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 99519272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).