N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

C18H16F2N4O — CID 53156823

IUPACN-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3ccc(F)cc3F)cn2)n1
InChIInChI=1S/C18H16F2N4O/c1-11-7-12(2)24(23-11)17-6-4-14(10-21-17)18(25)22-9-13-3-5-15(19)8-16(13)20/h3-8,10H,9H2,1-2H3,(H,22,25)
InChIKeyQMIARWIAKYMPQY-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.09
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 53156823) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID53156823
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCc3ccc(F)cc3F)cn2)n1
InChIInChI=1S/C18H16F2N4O/c1-11-7-12(2)24(23-11)17-6-4-14(10-21-17)18(25)22-9-13-3-5-15(19)8-16(13)20/h3-8,10H,9H2,1-2H3,(H,22,25)
InChIKeyQMIARWIAKYMPQY-UHFFFAOYSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (CID 53156823) is N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(F)cc3F)cn2)n1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is QMIARWIAKYMPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-11-7-12(2)24(23-11)17-6-4-14(10-21-17)18(25)22-9-13-3-5-15(19)8-16(13)20/h3-8,10H,9H2,1-2H3,(H,22,25).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 53156823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).