N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide

C19H26N4O2 — CID 56750818

IUPACN-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide
SMILESCCc1nccc(CN2CCCC(CNC(=O)c3occc3C)C2)n1
InChIInChI=1S/C19H26N4O2/c1-3-17-20-8-6-16(22-17)13-23-9-4-5-15(12-23)11-21-19(24)18-14(2)7-10-25-18/h6-8,10,15H,3-5,9,11-13H2,1-2H3,(H,21,24)
InChIKeyIQCGEAZGZKGSCX-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.58
Rot. Bonds6

About N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide

N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide (PubChem CID 56750818) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide
PubChem CID56750818
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide
SMILESCCc1nccc(CN2CCCC(CNC(=O)c3occc3C)C2)n1
InChIInChI=1S/C19H26N4O2/c1-3-17-20-8-6-16(22-17)13-23-9-4-5-15(12-23)11-21-19(24)18-14(2)7-10-25-18/h6-8,10,15H,3-5,9,11-13H2,1-2H3,(H,21,24)
InChIKeyIQCGEAZGZKGSCX-UHFFFAOYSA-N
XLogP2.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide (CID 56750818) is N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide is CCc1nccc(CN2CCCC(CNC(=O)c3occc3C)C2)n1.
What is the InChIKey of N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
The InChIKey is IQCGEAZGZKGSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-17-20-8-6-16(22-17)13-23-9-4-5-15(12-23)11-21-19(24)18-14(2)7-10-25-18/h6-8,10,15H,3-5,9,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide has a molecular weight of 342.44 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 N-[[1-[(2-ethylpyrimidin-4-yl)methyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 56750818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).