N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide

C20H24FN3O — CID 109233439

IUPACN-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cncc(NCc2ccccc2F)c1
InChIInChI=1S/C20H24FN3O/c21-19-10-6-5-7-15(19)13-23-18-11-16(12-22-14-18)20(25)24-17-8-3-1-2-4-9-17/h5-7,10-12,14,17,23H,1-4,8-9,13H2,(H,24,25)
InChIKeyDWPFEPGVHYYNAP-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.29
Rot. Bonds5

About N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide

N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109233439) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
PubChem CID109233439
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
SMILESO=C(NC1CCCCCC1)c1cncc(NCc2ccccc2F)c1
InChIInChI=1S/C20H24FN3O/c21-19-10-6-5-7-15(19)13-23-18-11-16(12-22-14-18)20(25)24-17-8-3-1-2-4-9-17/h5-7,10-12,14,17,23H,1-4,8-9,13H2,(H,24,25)
InChIKeyDWPFEPGVHYYNAP-UHFFFAOYSA-N
XLogP4.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109223581
N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022
5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109107049
N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide
CID 109239498
N-(3,5-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233459
N-(3-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233510
5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223975
5-[(2-fluorophenyl)methylamino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109233450
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
N-cyclopentyl-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109273905

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide (CID 109233439) is N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide is O=C(NC1CCCCCC1)c1cncc(NCc2ccccc2F)c1.
What is the InChIKey of N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is DWPFEPGVHYYNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c21-19-10-6-5-7-15(19)13-23-18-11-16(12-22-14-18)20(25)24-17-8-3-1-2-4-9-17/h5-7,10-12,14,17,23H,1-4,8-9,13H2,(H,24,25).
What are the key properties of N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide?
N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109233439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).