N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide

C24H24N2O3 — CID 177171499

IUPACN,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)Cc4ccccc4)C3)ccc2o1
InChIInChI=1S/C24H24N2O3/c1-25(2)24(28)22-15-20-14-18(10-11-21(20)29-22)19-9-6-12-26(16-19)23(27)13-17-7-4-3-5-8-17/h3-5,7-11,14-15H,6,12-13,16H2,1-2H3
InChIKeyWXVNTKLIVAWOHE-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.99
Rot. Bonds4

About N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide

N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide (PubChem CID 177171499) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
PubChem CID177171499
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide
SMILESCN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)Cc4ccccc4)C3)ccc2o1
InChIInChI=1S/C24H24N2O3/c1-25(2)24(28)22-15-20-14-18(10-11-21(20)29-22)19-9-6-12-26(16-19)23(27)13-17-7-4-3-5-8-17/h3-5,7-11,14-15H,6,12-13,16H2,1-2H3
InChIKeyWXVNTKLIVAWOHE-UHFFFAOYSA-N
XLogP3.99
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide (CID 177171499) is N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide is CN(C)C(=O)c1cc2cc(C3=CCCN(C(=O)Cc4ccccc4)C3)ccc2o1.
What is the InChIKey of N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
The InChIKey is WXVNTKLIVAWOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-25(2)24(28)22-15-20-14-18(10-11-21(20)29-22)19-9-6-12-26(16-19)23(27)13-17-7-4-3-5-8-17/h3-5,7-11,14-15H,6,12-13,16H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide?
N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-(2-phenylacetyl)-3,6-dihydro-2H-pyridin-5-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 177171499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).