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

C19H22N6O3 — CID 25138080

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCOCCOc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C19H22N6O3/c1-12-7-13(2)25(24-12)19-22-17(9-18(23-19)21-14(3)26)15-8-16(11-20-10-15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H,21,22,23,26)
InChIKeyLHFROBFAPLSYRB-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.32
Rot. Bonds7

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

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide (PubChem CID 25138080) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide
PubChem CID25138080
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCOCCOc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C19H22N6O3/c1-12-7-13(2)25(24-12)19-22-17(9-18(23-19)21-14(3)26)15-8-16(11-20-10-15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H,21,22,23,26)
InChIKeyLHFROBFAPLSYRB-UHFFFAOYSA-N
XLogP2.32
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide (CID 25138080) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide is COCCOc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide?
The InChIKey is LHFROBFAPLSYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-12-7-13(2)25(24-12)19-22-17(9-18(23-19)21-14(3)26)15-8-16(11-20-10-15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H,21,22,23,26).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).