2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide

C18H18N4O — CID 39977172

IUPAC2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1
InChIInChI=1S/C18H18N4O/c1-18(2,14-7-4-3-5-8-14)17(23)21-15-9-10-16(19-13-15)22-12-6-11-20-22/h3-13H,1-2H3,(H,21,23)
InChIKeyJUZCKJBODSGUSP-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide

2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide (PubChem CID 39977172) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
PubChem CID39977172
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide
SMILESCC(C)(C(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1
InChIInChI=1S/C18H18N4O/c1-18(2,14-7-4-3-5-8-14)17(23)21-15-9-10-16(19-13-15)22-12-6-11-20-22/h3-13H,1-2H3,(H,21,23)
InChIKeyJUZCKJBODSGUSP-UHFFFAOYSA-N
XLogP3.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide (CID 39977172) is 2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide is CC(C)(C(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1.
What is the InChIKey of 2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
The InChIKey is JUZCKJBODSGUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-18(2,14-7-4-3-5-8-14)17(23)21-15-9-10-16(19-13-15)22-12-6-11-20-22/h3-13H,1-2H3,(H,21,23).
What are the key properties of 2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide?
2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide has a molecular weight of 306.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 39977172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).