N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide

C21H19N7O — CID 46431681

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cccc(Nc4ncccn4)c3)cn2)n1
InChIInChI=1S/C21H19N7O/c1-14-11-15(2)28(27-14)19-8-7-18(13-24-19)25-20(29)16-5-3-6-17(12-16)26-21-22-9-4-10-23-21/h3-13H,1-2H3,(H,25,29)(H,22,23,26)
InChIKeyCVQIGPKZDOMVBD-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.67
Rot. Bonds5

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide (PubChem CID 46431681) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide
PubChem CID46431681
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cccc(Nc4ncccn4)c3)cn2)n1
InChIInChI=1S/C21H19N7O/c1-14-11-15(2)28(27-14)19-8-7-18(13-24-19)25-20(29)16-5-3-6-17(12-16)26-21-22-9-4-10-23-21/h3-13H,1-2H3,(H,25,29)(H,22,23,26)
InChIKeyCVQIGPKZDOMVBD-UHFFFAOYSA-N
XLogP3.67
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
CID 43072017
3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
CID 35374224
4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 46402927
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
CID 31923974
6-(aminomethyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 166362530
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021
N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
CID 39954034
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-nitrobenzamide
CID 31907871

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide (CID 46431681) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide is Cc1cc(C)n(-c2ccc(NC(=O)c3cccc(Nc4ncccn4)c3)cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide?
The InChIKey is CVQIGPKZDOMVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-14-11-15(2)28(27-14)19-8-7-18(13-24-19)25-20(29)16-5-3-6-17(12-16)26-21-22-9-4-10-23-21/h3-13H,1-2H3,(H,25,29)(H,22,23,26).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide has a molecular weight of 385.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 46431681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).