N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide

C18H22N6O4 — CID 122642929

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide
SMILESCn1c(=O)[nH]c2ncn(CC(=O)NCC(c3ccco3)N3CCCC3)c2c1=O
InChIInChI=1S/C18H22N6O4/c1-22-17(26)15-16(21-18(22)27)20-11-24(15)10-14(25)19-9-12(13-5-4-8-28-13)23-6-2-3-7-23/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3,(H,19,25)(H,21,27)
InChIKeyGTRBAEZLWHCTAG-UHFFFAOYSA-N
MW386.41 g/mol
LogP-0.03
Rot. Bonds6

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide (PubChem CID 122642929) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide
PubChem CID122642929
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide
SMILESCn1c(=O)[nH]c2ncn(CC(=O)NCC(c3ccco3)N3CCCC3)c2c1=O
InChIInChI=1S/C18H22N6O4/c1-22-17(26)15-16(21-18(22)27)20-11-24(15)10-14(25)19-9-12(13-5-4-8-28-13)23-6-2-3-7-23/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3,(H,19,25)(H,21,27)
InChIKeyGTRBAEZLWHCTAG-UHFFFAOYSA-N
XLogP-0.03
TPSA118.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9403212
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 30591769
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450
3-acetamido-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 110353373
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 47004561
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-3-phenylpentanamide
CID 110312900
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51162639
1-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97089880

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide (CID 122642929) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide is Cn1c(=O)[nH]c2ncn(CC(=O)NCC(c3ccco3)N3CCCC3)c2c1=O.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide?
The InChIKey is GTRBAEZLWHCTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c1-22-17(26)15-16(21-18(22)27)20-11-24(15)10-14(25)19-9-12(13-5-4-8-28-13)23-6-2-3-7-23/h4-5,8,11-12H,2-3,6-7,9-10H2,1H3,(H,19,25)(H,21,27).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide has a molecular weight of 386.41 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(1-methyl-2,6-dioxo-3H-purin-7-yl)acetamide is sourced from PubChem (CID 122642929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).