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

C18H24N4O2 — CID 56756222

IUPACN-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide
SMILESCCc1nccc(CN2CCC(CNC(=O)c3occc3C)C2)n1
InChIInChI=1S/C18H24N4O2/c1-3-16-19-7-4-15(21-16)12-22-8-5-14(11-22)10-20-18(23)17-13(2)6-9-24-17/h4,6-7,9,14H,3,5,8,10-12H2,1-2H3,(H,20,23)
InChIKeyGLCNIZKUAJMHTL-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.19
Rot. Bonds6

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

N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide (PubChem CID 56756222) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide
PubChem CID56756222
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide
SMILESCCc1nccc(CN2CCC(CNC(=O)c3occc3C)C2)n1
InChIInChI=1S/C18H24N4O2/c1-3-16-19-7-4-15(21-16)12-22-8-5-14(11-22)10-20-18(23)17-13(2)6-9-24-17/h4,6-7,9,14H,3,5,8,10-12H2,1-2H3,(H,20,23)
InChIKeyGLCNIZKUAJMHTL-UHFFFAOYSA-N
XLogP2.19
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.19
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]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide (CID 56756222) is N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide is CCc1nccc(CN2CCC(CNC(=O)c3occc3C)C2)n1.
What is the InChIKey of N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
The InChIKey is GLCNIZKUAJMHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-16-19-7-4-15(21-16)12-22-8-5-14(11-22)10-20-18(23)17-13(2)6-9-24-17/h4,6-7,9,14H,3,5,8,10-12H2,1-2H3,(H,20,23).
What are the key properties of N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide?
N-[[1-[(2-ethylpyrimidin-4-yl)methyl]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.19, 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]pyrrolidin-3-yl]methyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 56756222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).