N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide

C17H21N5O — CID 113029557

IUPACN-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C17H21N5O/c1-2-17(23)20-15-7-6-14(13-19-15)21-9-11-22(12-10-21)16-5-3-4-8-18-16/h3-8,13H,2,9-12H2,1H3,(H,19,20,23)
InChIKeyWLMSFAOLXQUYAU-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.15
Rot. Bonds4

About N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide

N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide (PubChem CID 113029557) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
PubChem CID113029557
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cn1
InChIInChI=1S/C17H21N5O/c1-2-17(23)20-15-7-6-14(13-19-15)21-9-11-22(12-10-21)16-5-3-4-8-18-16/h3-8,13H,2,9-12H2,1H3,(H,19,20,23)
InChIKeyWLMSFAOLXQUYAU-UHFFFAOYSA-N
XLogP2.15
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluorophenyl)-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]acetamide
CID 113029590
1-phenyl-3-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]urea
CID 113029595
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
4-fluoro-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029575
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571
N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029350
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]pentanamide
CID 113029615
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propanamide
CID 113030760
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
3-amino-N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 82034862
ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
CID 113029652
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109004730

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide?
The IUPAC name of N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide (CID 113029557) is N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)cn1.
What is the InChIKey of N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide?
The InChIKey is WLMSFAOLXQUYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-2-17(23)20-15-7-6-14(13-19-15)21-9-11-22(12-10-21)16-5-3-4-8-18-16/h3-8,13H,2,9-12H2,1H3,(H,19,20,23).
What are the key properties of N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide?
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide has a molecular weight of 311.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 113029557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).