N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide

C19H28N4O — CID 97362385

IUPACN-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2ccc(N3CCN(C)CC3)n2c1
InChIInChI=1S/C19H28N4O/c1-4-5-10-21(3)19(24)16-6-7-17-8-9-18(23(17)15-16)22-13-11-20(2)12-14-22/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyRYAZCDOESPJOQZ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.56
Rot. Bonds5

About N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide

N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide (PubChem CID 97362385) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
PubChem CID97362385
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
SMILESCCCCN(C)C(=O)c1ccc2ccc(N3CCN(C)CC3)n2c1
InChIInChI=1S/C19H28N4O/c1-4-5-10-21(3)19(24)16-6-7-17-8-9-18(23(17)15-16)22-13-11-20(2)12-14-22/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyRYAZCDOESPJOQZ-UHFFFAOYSA-N
XLogP2.56
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide
CID 97448044
4-[butyl(methyl)carbamoyl]benzoic acid
CID 43452774
N-butyl-N-methyl-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116180
N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 109061427
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
N-butyl-N-methylfuran-3-carboxamide
CID 110855744
4-amino-N-butyl-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116668307
N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 32906535
3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide
CID 166188604
N-butyl-N-methyl-1-(6-pyridin-4-ylindolizin-3-yl)pyrazole-3-carboxamide
CID 97362117
5-[butyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414824
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
The IUPAC name of N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide (CID 97362385) is N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
The canonical SMILES for N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide is CCCCN(C)C(=O)c1ccc2ccc(N3CCN(C)CC3)n2c1.
What is the InChIKey of N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
The InChIKey is RYAZCDOESPJOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-5-10-21(3)19(24)16-6-7-17-8-9-18(23(17)15-16)22-13-11-20(2)12-14-22/h6-9,15H,4-5,10-14H2,1-3H3.
What are the key properties of N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide?
N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide is sourced from PubChem (CID 97362385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).