N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide

C21H21N3O2 — CID 71896385

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2Cc3ccccc3O2)c(C)n1-c1cccnc1
InChIInChI=1S/C21H21N3O2/c1-14-10-19(15(2)24(14)17-7-5-9-22-12-17)21(25)23-13-18-11-16-6-3-4-8-20(16)26-18/h3-10,12,18H,11,13H2,1-2H3,(H,23,25)
InChIKeyDOPMQMNGKYRNRZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.22
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 71896385) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID71896385
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2Cc3ccccc3O2)c(C)n1-c1cccnc1
InChIInChI=1S/C21H21N3O2/c1-14-10-19(15(2)24(14)17-7-5-9-22-12-17)21(25)23-13-18-11-16-6-3-4-8-20(16)26-18/h3-10,12,18H,11,13H2,1-2H3,(H,23,25)
InChIKeyDOPMQMNGKYRNRZ-UHFFFAOYSA-N
XLogP3.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 53499843
N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 60550798
4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide
CID 97065065
2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 71888436
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55394955
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 95591999
2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
CID 62232676
(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[(2R)-2-ethylmorpholin-4-yl]methanone
CID 95584396
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 92603164

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide (CID 71896385) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCC2Cc3ccccc3O2)c(C)n1-c1cccnc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is DOPMQMNGKYRNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-10-19(15(2)24(14)17-7-5-9-22-12-17)21(25)23-13-18-11-16-6-3-4-8-20(16)26-18/h3-10,12,18H,11,13H2,1-2H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 71896385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).