5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C20H21N3O2 — CID 136568001

IUPAC5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCc1cc2c(cc1C)C(C(=O)NCc1c(C)nc3ccccn13)CO2
InChIInChI=1S/C20H21N3O2/c1-12-8-15-16(11-25-18(15)9-13(12)2)20(24)21-10-17-14(3)22-19-6-4-5-7-23(17)19/h4-9,16H,10-11H2,1-3H3,(H,21,24)
InChIKeyIVFULWFQIDWSJM-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.05
Rot. Bonds3

About 5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 136568001) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID136568001
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCc1cc2c(cc1C)C(C(=O)NCc1c(C)nc3ccccn13)CO2
InChIInChI=1S/C20H21N3O2/c1-12-8-15-16(11-25-18(15)9-13(12)2)20(24)21-10-17-14(3)22-19-6-4-5-7-23(17)19/h4-9,16H,10-11H2,1-3H3,(H,21,24)
InChIKeyIVFULWFQIDWSJM-UHFFFAOYSA-N
XLogP3.05
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylimidazo[1,2-a]pyridin-3-yl)methylurea
CID 139728346
(2R,3R)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-phenyloxolane-3-carboxamide
CID 136587872
(2S,3S)-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-phenyloxolane-3-carboxamide
CID 164630958
4-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydrochromene-4-carboxamide
CID 136567995
1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 146103401
1-(1H-indol-2-ylmethyl)-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 146077167
(3S)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124618645
1-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 138019543
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 154770903
methyl (E)-4-[(5,6-dimethyl-2,3-dihydro-1-benzofuran-3-carbonyl)amino]but-2-enoate
CID 146141922
1-[(1-tert-butylazetidin-2-yl)methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 138019683
2-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]cyclopropan-1-amine
CID 62398309

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of 5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 136568001) is 5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is Cc1cc2c(cc1C)C(C(=O)NCc1c(C)nc3ccccn13)CO2.
What is the InChIKey of 5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is IVFULWFQIDWSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-8-15-16(11-25-18(15)9-13(12)2)20(24)21-10-17-14(3)22-19-6-4-5-7-23(17)19/h4-9,16H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 136568001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).