N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide

C19H22N6O — CID 50973884

IUPACN-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide
SMILESCc1cnn(C)c1NC(=O)c1cccc(CN(C)Cc2cnccn2)c1
InChIInChI=1S/C19H22N6O/c1-14-10-22-25(3)18(14)23-19(26)16-6-4-5-15(9-16)12-24(2)13-17-11-20-7-8-21-17/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyDXVRJXYZMKXUDQ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.40
Rot. Bonds6

About N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide

N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide (PubChem CID 50973884) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide
PubChem CID50973884
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide
SMILESCc1cnn(C)c1NC(=O)c1cccc(CN(C)Cc2cnccn2)c1
InChIInChI=1S/C19H22N6O/c1-14-10-22-25(3)18(14)23-19(26)16-6-4-5-15(9-16)12-24(2)13-17-11-20-7-8-21-17/h4-11H,12-13H2,1-3H3,(H,23,26)
InChIKeyDXVRJXYZMKXUDQ-UHFFFAOYSA-N
XLogP2.40
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]benzamide
CID 50959414
3-[[methyl(pyridin-2-ylmethyl)amino]methyl]benzoic acid
CID 43565174
3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
CID 134708040
5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110483243
3-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]-N-(1-methylimidazol-2-yl)benzamide
CID 56702642
3-[[methyl-[(1R)-1-pyridin-2-ylethyl]amino]methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 95197031
3-(chloromethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63327302
3-[[(3-cyanophenyl)methyl-methylamino]methyl]-N-phenylbenzamide
CID 87021499
1-methyl-5-(pyridine-3-carbonylamino)pyrazole-4-carboxylic acid
CID 110482023
3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 50971333
N-(3,5-dimethylphenyl)-3-(pyrazin-2-ylsulfanylmethyl)benzamide
CID 20597621
N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide
CID 30271698

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide (CID 50973884) is N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide is Cc1cnn(C)c1NC(=O)c1cccc(CN(C)Cc2cnccn2)c1.
What is the InChIKey of N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is DXVRJXYZMKXUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14-10-22-25(3)18(14)23-19(26)16-6-4-5-15(9-16)12-24(2)13-17-11-20-7-8-21-17/h4-11H,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide?
N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 350.43 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpyrazol-5-yl)-3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 50973884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).