3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide

C19H25N5O — CID 133294209

IUPAC3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCCc1cc(N2CCCC(CCC(N)=O)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H25N5O/c1-2-16-12-18(23-19(22-16)15-7-9-21-10-8-15)24-11-3-4-14(13-24)5-6-17(20)25/h7-10,12,14H,2-6,11,13H2,1H3,(H2,20,25)
InChIKeyXSVWKMFLCNCFEQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.58
Rot. Bonds6

About 3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide

3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide (PubChem CID 133294209) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
PubChem CID133294209
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
SMILESCCc1cc(N2CCCC(CCC(N)=O)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H25N5O/c1-2-16-12-18(23-19(22-16)15-7-9-21-10-8-15)24-11-3-4-14(13-24)5-6-17(20)25/h7-10,12,14H,2-6,11,13H2,1H3,(H2,20,25)
InChIKeyXSVWKMFLCNCFEQ-UHFFFAOYSA-N
XLogP2.58
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 133294152
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 133294107
4-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-6-ethyl-2-pyridin-4-ylpyrimidine
CID 133295012
4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133308307
2-[1-[6-ethyl-2-(4-nitrophenyl)pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 133355905
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
2-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349733
4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
3-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 133469915

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide (CID 133294209) is 3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide is CCc1cc(N2CCCC(CCC(N)=O)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide?
The InChIKey is XSVWKMFLCNCFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-16-12-18(23-19(22-16)15-7-9-21-10-8-15)24-11-3-4-14(13-24)5-6-17(20)25/h7-10,12,14H,2-6,11,13H2,1H3,(H2,20,25).
What are the key properties of 3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide?
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 133294209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).