1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide

C18H17N3O4 — CID 174545779

IUPAC1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C(=O)c2ccc(OC)cc2OC)c2ccccc12
InChIInChI=1S/C18H17N3O4/c1-19-17(22)16-12-6-4-5-7-14(12)21(20-16)18(23)13-9-8-11(24-2)10-15(13)25-3/h4-10H,1-3H3,(H,19,22)
InChIKeyKWPOXDDFWPXWPS-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.10
Rot. Bonds4

About 1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide

1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide (PubChem CID 174545779) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide
PubChem CID174545779
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide
SMILESCNC(=O)c1nn(C(=O)c2ccc(OC)cc2OC)c2ccccc12
InChIInChI=1S/C18H17N3O4/c1-19-17(22)16-12-6-4-5-7-14(12)21(20-16)18(23)13-9-8-11(24-2)10-15(13)25-3/h4-10H,1-3H3,(H,19,22)
InChIKeyKWPOXDDFWPXWPS-UHFFFAOYSA-N
XLogP2.10
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(3-methylbenzoyl)indazole-3-carboxamide
CID 175254952
2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone
CID 141242796
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 936109
4-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 55904452
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 47069219
(2,4-dimethoxyphenyl)-[4-(2-methylpyrazolo[1,5-a]quinazolin-5-yl)piperazin-1-yl]methanone
CID 55884140
[4-(benzimidazol-1-yl)phenyl]-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 55953307
N-[(3-methoxyphenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822195

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide?
The IUPAC name of 1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide (CID 174545779) is 1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide is CNC(=O)c1nn(C(=O)c2ccc(OC)cc2OC)c2ccccc12.
What is the InChIKey of 1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide?
The InChIKey is KWPOXDDFWPXWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-19-17(22)16-12-6-4-5-7-14(12)21(20-16)18(23)13-9-8-11(24-2)10-15(13)25-3/h4-10H,1-3H3,(H,19,22).
What are the key properties of 1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide?
1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide is sourced from PubChem (CID 174545779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).