2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

C18H24N6O — CID 133349733

IUPAC2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCCc1cc(N2CCN(C(C)C(N)=O)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H24N6O/c1-3-15-12-16(22-18(21-15)14-4-6-20-7-5-14)24-10-8-23(9-11-24)13(2)17(19)25/h4-7,12-13H,3,8-11H2,1-2H3,(H2,19,25)
InChIKeyMUFFKNHJDXOHGF-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.10
Rot. Bonds5

About 2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide

2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (PubChem CID 133349733) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
PubChem CID133349733
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
SMILESCCc1cc(N2CCN(C(C)C(N)=O)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H24N6O/c1-3-15-12-16(22-18(21-15)14-4-6-20-7-5-14)24-10-8-23(9-11-24)13(2)17(19)25/h4-7,12-13H,3,8-11H2,1-2H3,(H2,19,25)
InChIKeyMUFFKNHJDXOHGF-UHFFFAOYSA-N
XLogP1.10
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
[4-amino-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 133314479
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
CID 133294882
4-ethyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295060
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 52511508
7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 133327702
4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 133294152
8-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-1,8-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 166264524
2-[4-[6-(methoxymethyl)-2-pyridin-4-ylpyrimidin-4-yl]piperazin-1-yl]acetic acid
CID 56768552

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The IUPAC name of 2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide (CID 133349733) is 2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for 2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The canonical SMILES for 2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is CCc1cc(N2CCN(C(C)C(N)=O)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
The InChIKey is MUFFKNHJDXOHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-3-15-12-16(22-18(21-15)14-4-6-20-7-5-14)24-10-8-23(9-11-24)13(2)17(19)25/h4-7,12-13H,3,8-11H2,1-2H3,(H2,19,25).
What are the key properties of 2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide?
2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 133349733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).