N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C19H24N6O2 — CID 109030558

IUPACN-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H24N6O2/c1-15(26)22-16-4-2-5-17(14-16)23-18(27)6-9-24-10-12-25(13-11-24)19-20-7-3-8-21-19/h2-5,7-8,14H,6,9-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyYXHNLZRUYUBCIF-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.59
Rot. Bonds6

About N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 109030558) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID109030558
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H24N6O2/c1-15(26)22-16-4-2-5-17(14-16)23-18(27)6-9-24-10-12-25(13-11-24)19-20-7-3-8-21-19/h2-5,7-8,14H,6,9-13H2,1H3,(H,22,26)(H,23,27)
InChIKeyYXHNLZRUYUBCIF-UHFFFAOYSA-N
XLogP1.59
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24560890
N-(4-cyanophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 33473460
ethyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]benzoate
CID 109030572
N-(3-acetamidophenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91831123
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24587396
N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030534
N-(3-fluorophenyl)-3-(4-pyrazin-2-ylpiperazin-1-yl)propanamide
CID 43065834
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
2-(4-acetamidophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 31413720
N-(3-acetamidophenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030207
3-[4-[3-(3-bromoanilino)-3-oxopropyl]piperazin-1-yl]-N-(3-bromophenyl)propanamide;dihydrochloride
CID 126478468
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 109030558) is N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is CC(=O)Nc1cccc(NC(=O)CCN2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is YXHNLZRUYUBCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-15(26)22-16-4-2-5-17(14-16)23-18(27)6-9-24-10-12-25(13-11-24)19-20-7-3-8-21-19/h2-5,7-8,14H,6,9-13H2,1H3,(H,22,26)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 368.44 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109030558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).