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

C22H25N5O2 — CID 97447978

IUPAC3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
SMILESCC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccn4)cn23)CC1
InChIInChI=1S/C22H25N5O2/c1-17(28)25-12-14-26(15-13-25)21-8-7-20-6-5-18(16-27(20)21)22(29)24-11-9-19-4-2-3-10-23-19/h2-8,10,16H,9,11-15H2,1H3,(H,24,29)
InChIKeyWGGBDKWCWLEGCF-UHFFFAOYSA-N
MW391.48 g/mol
LogP1.98
Rot. Bonds5

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

3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide (PubChem CID 97447978) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
PubChem CID97447978
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
SMILESCC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccn4)cn23)CC1
InChIInChI=1S/C22H25N5O2/c1-17(28)25-12-14-26(15-13-25)21-8-7-20-6-5-18(16-27(20)21)22(29)24-11-9-19-4-2-3-10-23-19/h2-8,10,16H,9,11-15H2,1H3,(H,24,29)
InChIKeyWGGBDKWCWLEGCF-UHFFFAOYSA-N
XLogP1.98
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
CID 97447967
3-(4-propan-2-ylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97448096
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
3-(4-acetylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]indolizine-6-carboxamide
CID 97447981
3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97362437
3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide
CID 97448044
2-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254753
3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide
CID 97447891
3-(1,4-dimethylpiperazin-2-yl)-N-(2-pyridin-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131638547
N-[2-(3-fluorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)indolizine-6-carboxamide
CID 97441664
4-(4-acetylpiperazin-1-yl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 78802977

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide (CID 97447978) is 3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide is CC(=O)N1CCN(c2ccc3ccc(C(=O)NCCc4ccccn4)cn23)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide?
The InChIKey is WGGBDKWCWLEGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-17(28)25-12-14-26(15-13-25)21-8-7-20-6-5-18(16-27(20)21)22(29)24-11-9-19-4-2-3-10-23-19/h2-8,10,16H,9,11-15H2,1H3,(H,24,29).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide?
3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 1.98, 5 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-(2-pyridin-2-ylethyl)indolizine-6-carboxamide is sourced from PubChem (CID 97447978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).