N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C23H30N4O2 — CID 24571066

IUPACN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)c(C)c2)CC1
InChIInChI=1S/C23H30N4O2/c1-4-26-10-12-27(13-11-26)17-8-9-18(15(2)14-17)25-23(29)22-16(3)21-19(24-22)6-5-7-20(21)28/h8-9,14,24H,4-7,10-13H2,1-3H3,(H,25,29)
InChIKeyDILLVJILLSKODL-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.54
Rot. Bonds4

About N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 24571066) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID24571066
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCCN1CCN(c2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)c(C)c2)CC1
InChIInChI=1S/C23H30N4O2/c1-4-26-10-12-27(13-11-26)17-8-9-18(15(2)14-17)25-23(29)22-16(3)21-19(24-22)6-5-7-20(21)28/h8-9,14,24H,4-7,10-13H2,1-3H3,(H,25,29)
InChIKeyDILLVJILLSKODL-UHFFFAOYSA-N
XLogP3.54
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 51177758
4-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 36565155
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559994
methyl 4-[[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]carbamoyl]benzoate
CID 36563389
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]thiophene-3-carboxamide
CID 78802774
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-(trifluoromethyl)benzamide
CID 34194003
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-fluoro-4-methylbenzamide
CID 36566549
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78868578
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78776043
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 34193147
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
4-(2,3-dihydro-1H-inden-5-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-4-oxobutanamide
CID 36567036

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 24571066) is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is CCN1CCN(c2ccc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)c(C)c2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is DILLVJILLSKODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-26-10-12-27(13-11-26)17-8-9-18(15(2)14-17)25-23(29)22-16(3)21-19(24-22)6-5-7-20(21)28/h8-9,14,24H,4-7,10-13H2,1-3H3,(H,25,29).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 24571066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).