2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide

C17H15FN4O — CID 110111970

IUPAC2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCn1nccc1NC(=O)c1ccnc(Cc2cccc(F)c2)c1
InChIInChI=1S/C17H15FN4O/c1-22-16(6-8-20-22)21-17(23)13-5-7-19-15(11-13)10-12-3-2-4-14(18)9-12/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyPODFQHXTKBZBBQ-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.80
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide

2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide (PubChem CID 110111970) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
PubChem CID110111970
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCn1nccc1NC(=O)c1ccnc(Cc2cccc(F)c2)c1
InChIInChI=1S/C17H15FN4O/c1-22-16(6-8-20-22)21-17(23)13-5-7-19-15(11-13)10-12-3-2-4-14(18)9-12/h2-9,11H,10H2,1H3,(H,21,23)
InChIKeyPODFQHXTKBZBBQ-UHFFFAOYSA-N
XLogP2.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 110472464
2-[(3-fluorophenyl)methyl]-N-[(3R)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
CID 125017627
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(3-fluorophenyl)methyl]pyridine-4-carboxamide
CID 124970015
1-[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-4-methylpiperidine-4-carboxamide
CID 110090407
4-hydroxy-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103956818
2-N,4-N-bis[(3-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 10293185
2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 110165390
2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
3-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxylic acid
CID 115093000
2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529514
2-ethyl-6-hydrazinyl-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 113381153
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide (CID 110111970) is 2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide is Cn1nccc1NC(=O)c1ccnc(Cc2cccc(F)c2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The InChIKey is PODFQHXTKBZBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-22-16(6-8-20-22)21-17(23)13-5-7-19-15(11-13)10-12-3-2-4-14(18)9-12/h2-9,11H,10H2,1H3,(H,21,23).
What are the key properties of 2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide has a molecular weight of 310.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 110111970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).