3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide

C20H20N4O2 — CID 122158091

IUPAC3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)NCc3nc4ccncc4n3C)oc12
InChIInChI=1S/C20H20N4O2/c1-11-5-6-12(2)18-17(11)13(3)19(26-18)20(25)22-10-16-23-14-7-8-21-9-15(14)24(16)4/h5-9H,10H2,1-4H3,(H,22,25)
InChIKeyQPDUIJJHPPGYFE-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.57
Rot. Bonds3

About 3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide

3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 122158091) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID122158091
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2c(C)c(C(=O)NCc3nc4ccncc4n3C)oc12
InChIInChI=1S/C20H20N4O2/c1-11-5-6-12(2)18-17(11)13(3)19(26-18)20(25)22-10-16-23-14-7-8-21-9-15(14)24(16)4/h5-9H,10H2,1-4H3,(H,22,25)
InChIKeyQPDUIJJHPPGYFE-UHFFFAOYSA-N
XLogP3.57
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

3,4,7-trimethyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 122154945
3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836541
N-methyl-1-(3-methylimidazo[4,5-c]pyridin-2-yl)methanamine
CID 83857849
methyl 2-(3-methylimidazo[4,5-c]pyridin-2-yl)acetate
CID 114793213
N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119499601
N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120650740
N-[3-(dimethylamino)-3-oxopropyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 47071817
N-[2-(3-methylimidazo[4,5-c]pyridin-2-yl)ethyl]propan-2-amine
CID 114793422
6-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 119219938
N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 111331453
4-[[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542813
N-[(1-methylbenzimidazol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55483885

Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 122158091) is 3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1ccc(C)c2c(C)c(C(=O)NCc3nc4ccncc4n3C)oc12.
What is the InChIKey of 3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is QPDUIJJHPPGYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-11-5-6-12(2)18-17(11)13(3)19(26-18)20(25)22-10-16-23-14-7-8-21-9-15(14)24(16)4/h5-9H,10H2,1-4H3,(H,22,25).
What are the key properties of 3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide?
3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-N-[(3-methylimidazo[4,5-c]pyridin-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 122158091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).