N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide

C17H19N7O — CID 75387829

IUPACN-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESCN(C)c1ncc(NC(=O)c2cccc(Nc3cnn(C)c3)c2)cn1
InChIInChI=1S/C17H19N7O/c1-23(2)17-18-8-14(9-19-17)22-16(25)12-5-4-6-13(7-12)21-15-10-20-24(3)11-15/h4-11,21H,1-3H3,(H,22,25)
InChIKeyRWOKQMDMYIYBRS-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.27
Rot. Bonds5

About N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide

N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide (PubChem CID 75387829) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
PubChem CID75387829
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESCN(C)c1ncc(NC(=O)c2cccc(Nc3cnn(C)c3)c2)cn1
InChIInChI=1S/C17H19N7O/c1-23(2)17-18-8-14(9-19-17)22-16(25)12-5-4-6-13(7-12)21-15-10-20-24(3)11-15/h4-11,21H,1-3H3,(H,22,25)
InChIKeyRWOKQMDMYIYBRS-UHFFFAOYSA-N
XLogP2.27
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-N-[2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 122298143
1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246
N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461785
[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone
CID 97235719
1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71906087
N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 97254283
3-imidazol-1-yl-N-(1-methylpyrazol-4-yl)benzamide
CID 155948039
benzyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71846936
3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide
CID 71914773
3-[(4-ethoxyphenyl)sulfanylamino]-N-(1-methylpyrazol-4-yl)benzamide
CID 170976851
3-(4-hydroxybut-1-ynyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 60817007

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide (CID 75387829) is N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide is CN(C)c1ncc(NC(=O)c2cccc(Nc3cnn(C)c3)c2)cn1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The InChIKey is RWOKQMDMYIYBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-23(2)17-18-8-14(9-19-17)22-16(25)12-5-4-6-13(7-12)21-15-10-20-24(3)11-15/h4-11,21H,1-3H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide?
N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide has a molecular weight of 337.39 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide is sourced from PubChem (CID 75387829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).