N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide

C19H21N3O3 — CID 46417867

IUPACN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc3cn[nH]c23)cc1OC
InChIInChI=1S/C19H21N3O3/c1-4-25-16-9-8-13(10-17(16)24-3)12(2)21-19(23)15-7-5-6-14-11-20-22-18(14)15/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySKDAWCWWTLNGHZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.46
Rot. Bonds6

About N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide

N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide (PubChem CID 46417867) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide
PubChem CID46417867
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide
SMILESCCOc1ccc(C(C)NC(=O)c2cccc3cn[nH]c23)cc1OC
InChIInChI=1S/C19H21N3O3/c1-4-25-16-9-8-13(10-17(16)24-3)12(2)21-19(23)15-7-5-6-14-11-20-22-18(14)15/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySKDAWCWWTLNGHZ-UHFFFAOYSA-N
XLogP3.46
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-1H-indazole-7-carboxamide
CID 55846417
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795220
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 46414825
2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46448294
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716738
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144
ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959968
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 47057863
5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide (CID 46417867) is N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide is CCOc1ccc(C(C)NC(=O)c2cccc3cn[nH]c23)cc1OC.
What is the InChIKey of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide?
The InChIKey is SKDAWCWWTLNGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-25-16-9-8-13(10-17(16)24-3)12(2)21-19(23)15-7-5-6-14-11-20-22-18(14)15/h5-12H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide?
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 46417867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).