N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide

C21H23N3O2 — CID 162240410

IUPACN,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide
SMILESCc1ccc2c(c1Cc1nccc3c1ccn3CC(=O)N(C)C)CCO2
InChIInChI=1S/C21H23N3O2/c1-14-4-5-20-15(8-11-26-20)17(14)12-18-16-7-10-24(13-21(25)23(2)3)19(16)6-9-22-18/h4-7,9-10H,8,11-13H2,1-3H3
InChIKeyZWPUODDXORPNGB-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.96
Rot. Bonds4

About N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide

N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide (PubChem CID 162240410) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide
PubChem CID162240410
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide
SMILESCc1ccc2c(c1Cc1nccc3c1ccn3CC(=O)N(C)C)CCO2
InChIInChI=1S/C21H23N3O2/c1-14-4-5-20-15(8-11-26-20)17(14)12-18-16-7-10-24(13-21(25)23(2)3)19(16)6-9-22-18/h4-7,9-10H,8,11-13H2,1-3H3
InChIKeyZWPUODDXORPNGB-UHFFFAOYSA-N
XLogP2.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide (CID 162240410) is N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide is Cc1ccc2c(c1Cc1nccc3c1ccn3CC(=O)N(C)C)CCO2.
What is the InChIKey of N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
The InChIKey is ZWPUODDXORPNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-4-5-20-15(8-11-26-20)17(14)12-18-16-7-10-24(13-21(25)23(2)3)19(16)6-9-22-18/h4-7,9-10H,8,11-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide?
N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[(5-methyl-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolo[3,2-c]pyridin-1-yl]acetamide is sourced from PubChem (CID 162240410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).