N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide

C21H18N2O2 — CID 97134347

IUPACN-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2cncc(C(=O)Nc3ccc4c(c3)COC4)c2)c1
InChIInChI=1S/C21H18N2O2/c1-14-3-2-4-15(7-14)17-8-18(11-22-10-17)21(24)23-20-6-5-16-12-25-13-19(16)9-20/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyXWKCBUPBYLMYGN-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.34
Rot. Bonds3

About N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide

N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide (PubChem CID 97134347) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide
PubChem CID97134347
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2cncc(C(=O)Nc3ccc4c(c3)COC4)c2)c1
InChIInChI=1S/C21H18N2O2/c1-14-3-2-4-15(7-14)17-8-18(11-22-10-17)21(24)23-20-6-5-16-12-25-13-19(16)9-20/h2-11H,12-13H2,1H3,(H,23,24)
InChIKeyXWKCBUPBYLMYGN-UHFFFAOYSA-N
XLogP4.34
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylphenyl)-N-methylsulfonylpyridine-3-carboxamide
CID 146154732
N-(2-anilino-2-oxoethyl)-5-(3-methylphenyl)pyridine-3-carboxamide
CID 136516074
5-hydroxy-N-(3-methylphenyl)pyridine-3-carboxamide
CID 63865627
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53010752
N,5-diphenylpyridine-3-carboxamide
CID 110683714
5-(1,3-dihydro-2-benzofuran-5-carbonylamino)pyridine-3-carboxylic acid
CID 63733480
2-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547588
cis-(1S,3R)-3-[[5-(3-methylphenyl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675656
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
N-(4-methoxyphenyl)-5-phenylpyridine-3-carboxamide
CID 110683719
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide (CID 97134347) is N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide is Cc1cccc(-c2cncc(C(=O)Nc3ccc4c(c3)COC4)c2)c1.
What is the InChIKey of N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide?
The InChIKey is XWKCBUPBYLMYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-3-2-4-15(7-14)17-8-18(11-22-10-17)21(24)23-20-6-5-16-12-25-13-19(16)9-20/h2-11H,12-13H2,1H3,(H,23,24).
What are the key properties of N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide?
N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzofuran-5-yl)-5-(3-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 97134347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).