2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide

C19H18N2O2 — CID 17015882

IUPAC2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cccnc3)c(C)o2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-5-7-16(8-6-13)18-10-17(14(2)23-18)19(22)21-12-15-4-3-9-20-11-15/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyQUNBYHMPBGHGLC-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.89
Rot. Bonds4

About 2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide

2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide (PubChem CID 17015882) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
PubChem CID17015882
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3cccnc3)c(C)o2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-5-7-16(8-6-13)18-10-17(14(2)23-18)19(22)21-12-15-4-3-9-20-11-15/h3-11H,12H2,1-2H3,(H,21,22)
InChIKeyQUNBYHMPBGHGLC-UHFFFAOYSA-N
XLogP3.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
5-(4-methylphenyl)-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 46141727
2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 42747938
N'-[(3-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 108984681
5-amino-2-fluoro-3-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103295849
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
5-(4-chlorophenyl)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 155515471
4-methyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 110852055
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide?
The IUPAC name of 2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide (CID 17015882) is 2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3cccnc3)c(C)o2)cc1.
What is the InChIKey of 2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide?
The InChIKey is QUNBYHMPBGHGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-5-7-16(8-6-13)18-10-17(14(2)23-18)19(22)21-12-15-4-3-9-20-11-15/h3-11H,12H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide?
2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylphenyl)-N-(pyridin-3-ylmethyl)furan-3-carboxamide is sourced from PubChem (CID 17015882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).