N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide

C18H21N7O — CID 25138086

IUPACN-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(N(C)C)n2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H21N7O/c1-11-9-12(2)25(23-11)18-21-15(10-16(22-18)19-13(3)26)14-7-6-8-17(20-14)24(4)5/h6-10H,1-5H3,(H,19,21,22,26)
InChIKeyPZIMFNJQILPVJP-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.37
Rot. Bonds4

About N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide

N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 25138086) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
PubChem CID25138086
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCC(=O)Nc1cc(-c2cccc(N(C)C)n2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H21N7O/c1-11-9-12(2)25(23-11)18-21-15(10-16(22-18)19-13(3)26)14-7-6-8-17(20-14)24(4)5/h6-10H,1-5H3,(H,19,21,22,26)
InChIKeyPZIMFNJQILPVJP-UHFFFAOYSA-N
XLogP2.37
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (CID 25138086) is N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is CC(=O)Nc1cc(-c2cccc(N(C)C)n2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is PZIMFNJQILPVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-11-9-12(2)25(23-11)18-21-15(10-16(22-18)19-13(3)26)14-7-6-8-17(20-14)24(4)5/h6-10H,1-5H3,(H,19,21,22,26).
What are the key properties of N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(dimethylamino)-2-pyridinyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).