3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide

C20H23N5O — CID 26126723

IUPAC3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
SMILESCN1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cn2)CC1
InChIInChI=1S/C20H23N5O/c1-24-10-12-25(13-11-24)19-8-7-18(15-22-19)23-20(26)9-6-16-2-4-17(14-21)5-3-16/h2-5,7-8,15H,6,9-13H2,1H3,(H,23,26)
InChIKeyGSRIRCNTYFXJAO-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.28
Rot. Bonds5

About 3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide

3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide (PubChem CID 26126723) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
PubChem CID26126723
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
SMILESCN1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cn2)CC1
InChIInChI=1S/C20H23N5O/c1-24-10-12-25(13-11-24)19-8-7-18(15-22-19)23-20(26)9-6-16-2-4-17(14-21)5-3-16/h2-5,7-8,15H,6,9-13H2,1H3,(H,23,26)
InChIKeyGSRIRCNTYFXJAO-UHFFFAOYSA-N
XLogP2.28
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide (CID 26126723) is 3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide is CN1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cn2)CC1.
What is the InChIKey of 3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
The InChIKey is GSRIRCNTYFXJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-24-10-12-25(13-11-24)19-8-7-18(15-22-19)23-20(26)9-6-16-2-4-17(14-21)5-3-16/h2-5,7-8,15H,6,9-13H2,1H3,(H,23,26).
What are the key properties of 3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide?
3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide has a molecular weight of 349.44 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 26126723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).