N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide

C18H18N4O2 — CID 170858386

IUPACN-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2n[nH]c3ccccc23)cc1C
InChIInChI=1S/C18H18N4O2/c1-11-7-8-13(9-12(11)2)20-16(23)10-19-18(24)17-14-5-3-4-6-15(14)21-22-17/h3-9H,10H2,1-2H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyTVLUTGFUUPJXET-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide

N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide (PubChem CID 170858386) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
PubChem CID170858386
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(NC(=O)CNC(=O)c2n[nH]c3ccccc23)cc1C
InChIInChI=1S/C18H18N4O2/c1-11-7-8-13(9-12(11)2)20-16(23)10-19-18(24)17-14-5-3-4-6-15(14)21-22-17/h3-9H,10H2,1-2H3,(H,19,24)(H,20,23)(H,21,22)
InChIKeyTVLUTGFUUPJXET-UHFFFAOYSA-N
XLogP2.55
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858528
N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 9069923
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 26593848
N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 37017710
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide
CID 99336157
N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 154796255
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 99519272
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide (CID 170858386) is N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide is Cc1ccc(NC(=O)CNC(=O)c2n[nH]c3ccccc23)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
The InChIKey is TVLUTGFUUPJXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-7-8-13(9-12(11)2)20-16(23)10-19-18(24)17-14-5-3-4-6-15(14)21-22-17/h3-9H,10H2,1-2H3,(H,19,24)(H,20,23)(H,21,22).
What are the key properties of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide?
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).