N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide

C18H20N4O2 — CID 71914810

IUPACN-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESCCN(Cc1ccoc1)C(=O)c1cccc(Nc2cnn(C)c2)c1
InChIInChI=1S/C18H20N4O2/c1-3-22(11-14-7-8-24-13-14)18(23)15-5-4-6-16(9-15)20-17-10-19-21(2)12-17/h4-10,12-13,20H,3,11H2,1-2H3
InChIKeyCQDOJPOLUYOBQU-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.42
Rot. Bonds6

About N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide

N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide (PubChem CID 71914810) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide
PubChem CID71914810
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESCCN(Cc1ccoc1)C(=O)c1cccc(Nc2cnn(C)c2)c1
InChIInChI=1S/C18H20N4O2/c1-3-22(11-14-7-8-24-13-14)18(23)15-5-4-6-16(9-15)20-17-10-19-21(2)12-17/h4-10,12-13,20H,3,11H2,1-2H3
InChIKeyCQDOJPOLUYOBQU-UHFFFAOYSA-N
XLogP3.42
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl(furan-3-ylmethyl)carbamoyl]benzoic acid
CID 75482711
1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 119863755
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323
benzyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71846936
1-ethyl-1-(furan-3-ylmethyl)-3-[5-(3-methylsulfanylanilino)-2-pyridinyl]urea
CID 167829651
N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 75387829
N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43725385
1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71906087
[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone
CID 97235719
3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide
CID 71914773
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The IUPAC name of N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide (CID 71914810) is N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide.
What is the SMILES notation for N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The canonical SMILES for N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide is CCN(Cc1ccoc1)C(=O)c1cccc(Nc2cnn(C)c2)c1.
What is the InChIKey of N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The InChIKey is CQDOJPOLUYOBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-22(11-14-7-8-24-13-14)18(23)15-5-4-6-16(9-15)20-17-10-19-21(2)12-17/h4-10,12-13,20H,3,11H2,1-2H3.
What are the key properties of N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide?
N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide has a molecular weight of 324.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide is sourced from PubChem (CID 71914810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).