N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide

C20H24N4O3 — CID 119111289

IUPACN-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCOc1c(CNCc2cccc(C(=O)NCc3ccco3)c2)c(C)nn1C
InChIInChI=1S/C20H24N4O3/c1-14-18(20(26-3)24(2)23-14)13-21-11-15-6-4-7-16(10-15)19(25)22-12-17-8-5-9-27-17/h4-10,21H,11-13H2,1-3H3,(H,22,25)
InChIKeyVSYZBZWNXBLZBD-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.55
Rot. Bonds8

About N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide

N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide (PubChem CID 119111289) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
PubChem CID119111289
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCOc1c(CNCc2cccc(C(=O)NCc3ccco3)c2)c(C)nn1C
InChIInChI=1S/C20H24N4O3/c1-14-18(20(26-3)24(2)23-14)13-21-11-15-6-4-7-16(10-15)19(25)22-12-17-8-5-9-27-17/h4-10,21H,11-13H2,1-3H3,(H,22,25)
InChIKeyVSYZBZWNXBLZBD-UHFFFAOYSA-N
XLogP2.55
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
CID 51131337
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
3-N-(furan-2-ylmethyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109053943
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 51105192
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 84594611
N-(furan-2-ylmethyl)-3-[[2-[(4-methoxyphenyl)methylamino]acetyl]amino]benzamide
CID 54837825
N-(furan-2-ylmethyl)-3-[[(2-hydroxy-2-methylpropanoyl)amino]methyl]benzamide
CID 122147373
3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
CID 55876373
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
CID 55877532
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 60532837

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide (CID 119111289) is N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide is COc1c(CNCc2cccc(C(=O)NCc3ccco3)c2)c(C)nn1C.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The InChIKey is VSYZBZWNXBLZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-18(20(26-3)24(2)23-14)13-21-11-15-6-4-7-16(10-15)19(25)22-12-17-8-5-9-27-17/h4-10,21H,11-13H2,1-3H3,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 119111289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).