6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

C18H17FN4O — CID 53156817

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3ccc(F)cc3)cn2)n1
InChIInChI=1S/C18H17FN4O/c1-12-9-13(2)23(22-12)17-8-5-15(11-20-17)18(24)21-10-14-3-6-16(19)7-4-14/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeyZZKAFXIUOSBDNK-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.95
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 53156817) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID53156817
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3ccc(F)cc3)cn2)n1
InChIInChI=1S/C18H17FN4O/c1-12-9-13(2)23(22-12)17-8-5-15(11-20-17)18(24)21-10-14-3-6-16(19)7-4-14/h3-9,11H,10H2,1-2H3,(H,21,24)
InChIKeyZZKAFXIUOSBDNK-UHFFFAOYSA-N
XLogP2.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide (CID 53156817) is 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(F)cc3)cn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is ZZKAFXIUOSBDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-12-9-13(2)23(22-12)17-8-5-15(11-20-17)18(24)21-10-14-3-6-16(19)7-4-14/h3-9,11H,10H2,1-2H3,(H,21,24).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 324.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 53156817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).