N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C19H21N5O — CID 42912077

IUPACN-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H21N5O/c1-15(19(25)22-17-7-5-16(14-20)6-8-17)23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyFIZGIIHAQQLSTG-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.10
Rot. Bonds4

About N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 42912077) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID42912077
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H21N5O/c1-15(19(25)22-17-7-5-16(14-20)6-8-17)23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,15H,10-13H2,1H3,(H,22,25)
InChIKeyFIZGIIHAQQLSTG-UHFFFAOYSA-N
XLogP2.10
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
(2R)-N-(4-cyanophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2654878
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17455398
(2R)-2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 2655382
2-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 43183653
(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459358
N-(4-cyanophenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950946
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286642
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 42912077) is N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CC(C(=O)Nc1ccc(C#N)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is FIZGIIHAQQLSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15(19(25)22-17-7-5-16(14-20)6-8-17)23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,15H,10-13H2,1H3,(H,22,25).
What are the key properties of N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 42912077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).