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

C18H20N6O2 — CID 25138082

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H20N6O2/c1-5-17(25)21-16-8-15(13-7-14(26-4)10-19-9-13)20-18(22-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)
InChIKeyIXMNYLMWWGRTJQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.70
Rot. Bonds5

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

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide (PubChem CID 25138082) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide
PubChem CID25138082
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide
SMILESCCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C18H20N6O2/c1-5-17(25)21-16-8-15(13-7-14(26-4)10-19-9-13)20-18(22-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25)
InChIKeyIXMNYLMWWGRTJQ-UHFFFAOYSA-N
XLogP2.70
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide (CID 25138082) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide is CCC(=O)Nc1cc(-c2cncc(OC)c2)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide?
The InChIKey is IXMNYLMWWGRTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-5-17(25)21-16-8-15(13-7-14(26-4)10-19-9-13)20-18(22-16)24-12(3)6-11(2)23-24/h6-10H,5H2,1-4H3,(H,20,21,22,25).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide has a molecular weight of 352.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]propanamide is sourced from PubChem (CID 25138082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).