N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide

C19H18N2O2 — CID 126797224

IUPACN-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide
SMILESCc1coc(C(=O)N(Cc2ccccc2)c2ccncc2)c1C
InChIInChI=1S/C19H18N2O2/c1-14-13-23-18(15(14)2)19(22)21(17-8-10-20-11-9-17)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyICKUNXIQPHAXLW-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.14
Rot. Bonds4

About N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide

N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide (PubChem CID 126797224) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide
PubChem CID126797224
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide
SMILESCc1coc(C(=O)N(Cc2ccccc2)c2ccncc2)c1C
InChIInChI=1S/C19H18N2O2/c1-14-13-23-18(15(14)2)19(22)21(17-8-10-20-11-9-17)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3
InChIKeyICKUNXIQPHAXLW-UHFFFAOYSA-N
XLogP4.14
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-methyl-N-pyridin-4-yl-1,3-oxazole-4-carboxamide
CID 75449878
pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302
N-benzyl-2,5-dimethyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 75449858
3-methyl-N-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 69133595
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
pyridin-4-ylmethyl-(2,4,6-trimethylphenyl)carbamic acid
CID 66996995
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544270
N,N-dibenzylpyridin-4-amine
CID 15006775
N-benzyl-3,5,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 18830949
N-benzyl-N-(4-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 55646940
N-benzyl-1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 110682735

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide?
The IUPAC name of N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide (CID 126797224) is N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide.
What is the SMILES notation for N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide?
The canonical SMILES for N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide is Cc1coc(C(=O)N(Cc2ccccc2)c2ccncc2)c1C.
What is the InChIKey of N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide?
The InChIKey is ICKUNXIQPHAXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14-13-23-18(15(14)2)19(22)21(17-8-10-20-11-9-17)12-16-6-4-3-5-7-16/h3-11,13H,12H2,1-2H3.
What are the key properties of N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide?
N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,4-dimethyl-N-pyridin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 126797224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).