4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine

C17H24N6O2S — CID 133294152

IUPAC4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
SMILESCCc1cc(N2CCCC(CNS(N)(=O)=O)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H24N6O2S/c1-2-15-10-16(22-17(21-15)14-5-7-19-8-6-14)23-9-3-4-13(12-23)11-20-26(18,24)25/h5-8,10,13,20H,2-4,9,11-12H2,1H3,(H2,18,24,25)
InChIKeySEWPTXKNLPROCW-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.11
Rot. Bonds6

About 4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine

4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine (PubChem CID 133294152) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is 4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
PubChem CID133294152
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC Name4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
SMILESCCc1cc(N2CCCC(CNS(N)(=O)=O)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C17H24N6O2S/c1-2-15-10-16(22-17(21-15)14-5-7-19-8-6-14)23-9-3-4-13(12-23)11-20-26(18,24)25/h5-8,10,13,20H,2-4,9,11-12H2,1H3,(H2,18,24,25)
InChIKeySEWPTXKNLPROCW-UHFFFAOYSA-N
XLogP1.11
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-2-(4-nitrophenyl)-6-[(3R)-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 52519796
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
3-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 133294209
1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 133294107
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133308307
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-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037
1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
CID 133294882
[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
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 133294122

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine (CID 133294152) is 4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine is CCc1cc(N2CCCC(CNS(N)(=O)=O)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
The InChIKey is SEWPTXKNLPROCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-2-15-10-16(22-17(21-15)14-5-7-19-8-6-14)23-9-3-4-13(12-23)11-20-26(18,24)25/h5-8,10,13,20H,2-4,9,11-12H2,1H3,(H2,18,24,25).
What are the key properties of 4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine?
4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine has a molecular weight of 376.49 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 133294152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).