2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide

C17H15FN4O — CID 122274311

IUPAC2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCn1cc(-c2ccc(CNC(=O)c3ccccc3F)cn2)cn1
InChIInChI=1S/C17H15FN4O/c1-22-11-13(10-21-22)16-7-6-12(8-19-16)9-20-17(23)14-4-2-3-5-15(14)18/h2-8,10-11H,9H2,1H3,(H,20,23)
InChIKeyHKNTTXBDYYDDQN-UHFFFAOYSA-N
MW310.33 g/mol
LogP2.55
Rot. Bonds4

About 2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide

2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (PubChem CID 122274311) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
PubChem CID122274311
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
SMILESCn1cc(-c2ccc(CNC(=O)c3ccccc3F)cn2)cn1
InChIInChI=1S/C17H15FN4O/c1-22-11-13(10-21-22)16-7-6-12(8-19-16)9-20-17(23)14-4-2-3-5-15(14)18/h2-8,10-11H,9H2,1H3,(H,20,23)
InChIKeyHKNTTXBDYYDDQN-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
2-ethyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butanamide
CID 122274470
1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122274541
4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide
CID 122274506
N-benzyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 3916665
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-methylsulfanylbenzamide
CID 121022535
methyl 4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methylcarbamoyl]benzoate
CID 121022509
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 119105294
3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide
CID 122274377
4-methoxy-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxo-1-phenylpyridine-3-carboxamide
CID 122274507
2-(4-fluorophenoxy)-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122274335
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-phenoxypropanamide
CID 122274332

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide (CID 122274311) is 2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is Cn1cc(-c2ccc(CNC(=O)c3ccccc3F)cn2)cn1.
What is the InChIKey of 2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
The InChIKey is HKNTTXBDYYDDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c1-22-11-13(10-21-22)16-7-6-12(8-19-16)9-20-17(23)14-4-2-3-5-15(14)18/h2-8,10-11H,9H2,1H3,(H,20,23).
What are the key properties of 2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide?
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide has a molecular weight of 310.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide is sourced from PubChem (CID 122274311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).