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

C20H23N5O — CID 97447891

IUPAC3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide
SMILESCN1CCN(c2ccc3ccc(C(=O)NCc4ccncc4)cn23)CC1
InChIInChI=1S/C20H23N5O/c1-23-10-12-24(13-11-23)19-5-4-18-3-2-17(15-25(18)19)20(26)22-14-16-6-8-21-9-7-16/h2-9,15H,10-14H2,1H3,(H,22,26)
InChIKeyPLFRJNYXSQYLAJ-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.02
Rot. Bonds4

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

3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide (PubChem CID 97447891) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide
PubChem CID97447891
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide
SMILESCN1CCN(c2ccc3ccc(C(=O)NCc4ccncc4)cn23)CC1
InChIInChI=1S/C20H23N5O/c1-23-10-12-24(13-11-23)19-5-4-18-3-2-17(15-25(18)19)20(26)22-14-16-6-8-21-9-7-16/h2-9,15H,10-14H2,1H3,(H,22,26)
InChIKeyPLFRJNYXSQYLAJ-UHFFFAOYSA-N
XLogP2.02
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155838504
N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362387
N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide
CID 97448020
3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
CID 97447967
N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362385
3-(4-acetylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97447966
N-(2,4-difluorophenyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362374
3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97447978
3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide
CID 97448044
N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
CID 97448060
3-(1-methyl-4-pyrimidin-2-ylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131654388
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 110706378

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide (CID 97447891) is 3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide is CN1CCN(c2ccc3ccc(C(=O)NCc4ccncc4)cn23)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide?
The InChIKey is PLFRJNYXSQYLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-10-12-24(13-11-23)19-5-4-18-3-2-17(15-25(18)19)20(26)22-14-16-6-8-21-9-7-16/h2-9,15H,10-14H2,1H3,(H,22,26).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide?
3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide is sourced from PubChem (CID 97447891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).