N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide

C18H18N4O3 — CID 18112370

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N4O3/c1-22(11-16(23)19-12-7-9-13(25-2)10-8-12)18(24)17-14-5-3-4-6-15(14)20-21-17/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyJZBWBLUMNJJZHX-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 18112370) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID18112370
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C18H18N4O3/c1-22(11-16(23)19-12-7-9-13(25-2)10-8-12)18(24)17-14-5-3-4-6-15(14)20-21-17/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21)
InChIKeyJZBWBLUMNJJZHX-UHFFFAOYSA-N
XLogP2.28
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methoxyphenyl)-6-(1-{2-[(methylamino)methyl]phenyl}-4-piperidinyl)-7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 22318549
6-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23648151
6-(1-{2-[(diethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23648155
GW-5823
CID 5311148
CBP/p300-IN-17
CID 142504112
N-(1H-indazol-5-yl)-3-methoxybenzamide
CID 6465251
N-(1-{2-[(dimethylamino)methyl]phenyl}piperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23648157
(2S)-3-(1H-indol-2-yl)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]propanamide
CID 23648329
1H-indazol-3-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2572779
N-(4-methoxyphenyl)-2H-indazole-3-carboxamide
CID 9412007
N-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1-propan-2-ylindazole-3-carboxamide
CID 9867783
CCK-A Agonist 23
CID 10769902

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide (CID 18112370) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is JZBWBLUMNJJZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-22(11-16(23)19-12-7-9-13(25-2)10-8-12)18(24)17-14-5-3-4-6-15(14)20-21-17/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 18112370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).