2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide

C17H24N4O3 — CID 118746025

IUPAC2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1CN(Cc2ccoc2)Cc2ncn(C)c21
InChIInChI=1S/C17H24N4O3/c1-19(2)16(22)11-24-10-14-7-21(6-13-4-5-23-9-13)8-15-17(14)20(3)12-18-15/h4-5,9,12,14H,6-8,10-11H2,1-3H3
InChIKeyDEAAJXLOOBPNGL-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.22
Rot. Bonds6

About 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide

2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide (PubChem CID 118746025) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
PubChem CID118746025
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COCC1CN(Cc2ccoc2)Cc2ncn(C)c21
InChIInChI=1S/C17H24N4O3/c1-19(2)16(22)11-24-10-14-7-21(6-13-4-5-23-9-13)8-15-17(14)20(3)12-18-15/h4-5,9,12,14H,6-8,10-11H2,1-3H3
InChIKeyDEAAJXLOOBPNGL-UHFFFAOYSA-N
XLogP1.22
TPSA63.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide (CID 118746025) is 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide is CN(C)C(=O)COCC1CN(Cc2ccoc2)Cc2ncn(C)c21.
What is the InChIKey of 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide?
The InChIKey is DEAAJXLOOBPNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-19(2)16(22)11-24-10-14-7-21(6-13-4-5-23-9-13)8-15-17(14)20(3)12-18-15/h4-5,9,12,14H,6-8,10-11H2,1-3H3.
What are the key properties of 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide?
2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide has a molecular weight of 332.40 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-3-ylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 118746025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).