formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide

C20H30N6O3 — CID 154915848

IUPACformic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCCCc1cnc(N2CCC(CNC(=O)Cn3ccnc3C)CC2)nc1.O=CO
InChIInChI=1S/C19H28N6O.CH2O2/c1-3-4-17-12-22-19(23-13-17)24-8-5-16(6-9-24)11-21-18(26)14-25-10-7-20-15(25)2;2-1-3/h7,10,12-13,16H,3-6,8-9,11,14H2,1-2H3,(H,21,26);1H,(H,2,3)
InChIKeyJYWVZVIKICPHJZ-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.67
Rot. Bonds7

About formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide

formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 154915848) has the molecular formula C20H30N6O3 and a molecular weight of 402.50 g/mol. Its IUPAC name is formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Nameformic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
PubChem CID154915848
Molecular FormulaC20H30N6O3
Molecular Weight402.50 g/mol
Exact Mass402.24
IUPAC Nameformic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
SMILESCCCc1cnc(N2CCC(CNC(=O)Cn3ccnc3C)CC2)nc1.O=CO
InChIInChI=1S/C19H28N6O.CH2O2/c1-3-4-17-12-22-19(23-13-17)24-8-5-16(6-9-24)11-21-18(26)14-25-10-7-20-15(25)2;2-1-3/h7,10,12-13,16H,3-6,8-9,11,14H2,1-2H3,(H,21,26);1H,(H,2,3)
InChIKeyJYWVZVIKICPHJZ-UHFFFAOYSA-N
XLogP1.67
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide (CID 154915848) is formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide is CCCc1cnc(N2CCC(CNC(=O)Cn3ccnc3C)CC2)nc1.O=CO.
What is the InChIKey of formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is JYWVZVIKICPHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O.CH2O2/c1-3-4-17-12-22-19(23-13-17)24-8-5-16(6-9-24)11-21-18(26)14-25-10-7-20-15(25)2;2-1-3/h7,10,12-13,16H,3-6,8-9,11,14H2,1-2H3,(H,21,26);1H,(H,2,3).
What are the key properties of formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide?
formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 402.50 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(2-methylimidazol-1-yl)-N-[[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 154915848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).