N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide

C17H22N4O3 — CID 167885854

IUPACN-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide
SMILESCc1ccc(CC(=O)N2CC(CNC(=O)c3cnc[nH]3)CC2C)o1
InChIInChI=1S/C17H22N4O3/c1-11-5-13(7-19-17(23)15-8-18-10-20-15)9-21(11)16(22)6-14-4-3-12(2)24-14/h3-4,8,10-11,13H,5-7,9H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyWCMSSVNMDXAYDI-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.52
Rot. Bonds5

About N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide

N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide (PubChem CID 167885854) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide
PubChem CID167885854
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide
SMILESCc1ccc(CC(=O)N2CC(CNC(=O)c3cnc[nH]3)CC2C)o1
InChIInChI=1S/C17H22N4O3/c1-11-5-13(7-19-17(23)15-8-18-10-20-15)9-21(11)16(22)6-14-4-3-12(2)24-14/h3-4,8,10-11,13H,5-7,9H2,1-2H3,(H,18,20)(H,19,23)
InChIKeyWCMSSVNMDXAYDI-UHFFFAOYSA-N
XLogP1.52
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide (CID 167885854) is N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide is Cc1ccc(CC(=O)N2CC(CNC(=O)c3cnc[nH]3)CC2C)o1.
What is the InChIKey of N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
The InChIKey is WCMSSVNMDXAYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-5-13(7-19-17(23)15-8-18-10-20-15)9-21(11)16(22)6-14-4-3-12(2)24-14/h3-4,8,10-11,13H,5-7,9H2,1-2H3,(H,18,20)(H,19,23).
What are the key properties of N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide?
N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-1-[2-(5-methylfuran-2-yl)acetyl]pyrrolidin-3-yl]methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167885854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).