N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide

C19H24N4O — CID 113029350

IUPACN-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)cn1
InChIInChI=1S/C19H24N4O/c1-3-19(24)21-18-8-7-17(14-20-18)23-11-9-22(10-12-23)16-6-4-5-15(2)13-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,20,21,24)
InChIKeyYMZRXQBOZWJIGQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.07
Rot. Bonds4

About N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide

N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide (PubChem CID 113029350) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
PubChem CID113029350
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)cn1
InChIInChI=1S/C19H24N4O/c1-3-19(24)21-18-8-7-17(14-20-18)23-11-9-22(10-12-23)16-6-4-5-15(2)13-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,20,21,24)
InChIKeyYMZRXQBOZWJIGQ-UHFFFAOYSA-N
XLogP3.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide
CID 113029352
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
CID 113043638
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029367
N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]propanamide
CID 113029557
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propanamide
CID 113030760
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[1-(5-methyl-2-pyridinyl)propyl]acetamide
CID 118776776
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
CID 110640432
N-[6-[4-[4-(3-methylphenyl)piperazine-1-carbonyl]imidazol-1-yl]-3-pyridinyl]propanamide
CID 53156945
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
ethyl N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]carbamate
CID 113029652

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide?
The IUPAC name of N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide (CID 113029350) is N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(N2CCN(c3cccc(C)c3)CC2)cn1.
What is the InChIKey of N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide?
The InChIKey is YMZRXQBOZWJIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-19(24)21-18-8-7-17(14-20-18)23-11-9-22(10-12-23)16-6-4-5-15(2)13-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,20,21,24).
What are the key properties of N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide?
N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide has a molecular weight of 324.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 113029350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).