N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide

C18H25N5O2 — CID 9125891

IUPACN-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C18H25N5O2/c1-12-17(13(2)23(5)21-12)20-16(24)11-22(4)10-14-6-8-15(9-7-14)18(25)19-3/h6-9H,10-11H2,1-5H3,(H,19,25)(H,20,24)
InChIKeyZKPCRKKFAFALBM-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.47
Rot. Bonds6

About N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide

N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide (PubChem CID 9125891) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide
PubChem CID9125891
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)CC(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C18H25N5O2/c1-12-17(13(2)23(5)21-12)20-16(24)11-22(4)10-14-6-8-15(9-7-14)18(25)19-3/h6-9H,10-11H2,1-5H3,(H,19,25)(H,20,24)
InChIKeyZKPCRKKFAFALBM-UHFFFAOYSA-N
XLogP1.47
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9003162
4-[[[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 55445494
2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 62687728
2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911666
4-[[[2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125498
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8552057
N-methyl-4-[[methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]amino]methyl]benzamide
CID 9123048
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
4-[[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9123087
2-[(2-ethoxyphenyl)methyl-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 87014799
ethyl 2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetate
CID 62011215
N-(4-ethylphenyl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
CID 22196576

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide?
The IUPAC name of N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide (CID 9125891) is N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide is CNC(=O)c1ccc(CN(C)CC(=O)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide?
The InChIKey is ZKPCRKKFAFALBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-17(13(2)23(5)21-12)20-16(24)11-22(4)10-14-6-8-15(9-7-14)18(25)19-3/h6-9H,10-11H2,1-5H3,(H,19,25)(H,20,24).
What are the key properties of N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide?
N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide is sourced from PubChem (CID 9125891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).