3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide

C21H23N5O2 — CID 97447967

IUPAC3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
SMILESCC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4ccccn4)cn23)CC1
InChIInChI=1S/C21H23N5O2/c1-16(27)24-10-12-25(13-11-24)20-8-7-19-6-5-17(15-26(19)20)21(28)23-14-18-4-2-3-9-22-18/h2-9,15H,10-14H2,1H3,(H,23,28)
InChIKeyOHUGDQDTAUAWAS-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.93
Rot. Bonds4

About 3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide

3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide (PubChem CID 97447967) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
PubChem CID97447967
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
SMILESCC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4ccccn4)cn23)CC1
InChIInChI=1S/C21H23N5O2/c1-16(27)24-10-12-25(13-11-24)20-8-7-19-6-5-17(15-26(19)20)21(28)23-14-18-4-2-3-9-22-18/h2-9,15H,10-14H2,1H3,(H,23,28)
InChIKeyOHUGDQDTAUAWAS-UHFFFAOYSA-N
XLogP1.93
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-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

3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97447978
3-(4-propan-2-ylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97448096
2-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254753
3-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97407087
3-(4-acetylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97447966
4-(4-acetylpiperazin-1-yl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 78802977
3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide
CID 97447891
N-(pyridin-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109258550
ethyl 4-[4-(pyridin-2-ylmethylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109047539
3-(4-methoxy-N-methylanilino)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
CID 97441738
4-(acetamidomethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 18107584
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide (CID 97447967) is 3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide is CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4ccccn4)cn23)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide?
The InChIKey is OHUGDQDTAUAWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-16(27)24-10-12-25(13-11-24)20-8-7-19-6-5-17(15-26(19)20)21(28)23-14-18-4-2-3-9-22-18/h2-9,15H,10-14H2,1H3,(H,23,28).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide?
3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide is sourced from PubChem (CID 97447967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).