N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide

C18H18N4O2 — CID 170858384

IUPACN-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N4O2/c1-12-6-8-13(9-7-12)10-19-16(23)11-20-18(24)17-14-4-2-3-5-15(14)21-22-17/h2-9H,10-11H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyHDZRSFVHUBEMAO-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.92
Rot. Bonds5

About N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide

N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide (PubChem CID 170858384) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
PubChem CID170858384
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N4O2/c1-12-6-8-13(9-7-12)10-19-16(23)11-20-18(24)17-14-4-2-3-5-15(14)21-22-17/h2-9H,10-11H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyHDZRSFVHUBEMAO-UHFFFAOYSA-N
XLogP1.92
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 69079053
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
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
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
CID 71976298
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858528
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 9269012
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide (CID 170858384) is N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide is Cc1ccc(CNC(=O)CNC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide?
The InChIKey is HDZRSFVHUBEMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-6-8-13(9-7-12)10-19-16(23)11-20-18(24)17-14-4-2-3-5-15(14)21-22-17/h2-9H,10-11H2,1H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide?
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 170858384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).