N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C17H18N2O3 — CID 136567147

IUPACN-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCc1nc(OC)ccc1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18N2O3/c1-3-13-14(5-7-16(18-13)21-2)19-17(20)12-4-6-15-11(10-12)8-9-22-15/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyBFHGEHNGYFVUEC-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.84
Rot. Bonds4

About N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 136567147) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID136567147
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCc1nc(OC)ccc1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H18N2O3/c1-3-13-14(5-7-16(18-13)21-2)19-17(20)12-4-6-15-11(10-12)8-9-22-15/h4-7,10H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyBFHGEHNGYFVUEC-UHFFFAOYSA-N
XLogP2.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46583863
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid
CID 43171735
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581387
N-[4-(2-amino-2-oxoethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 31862131
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 104667397
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 136567147) is N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide is CCc1nc(OC)ccc1NC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is BFHGEHNGYFVUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-3-13-14(5-7-16(18-13)21-2)19-17(20)12-4-6-15-11(10-12)8-9-22-15/h4-7,10H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 136567147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).