N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide

C17H20FN3O — CID 109189494

IUPACN-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C17H20FN3O/c1-17(2,3)21-16(22)15-9-8-13(11-20-15)19-10-12-6-4-5-7-14(12)18/h4-9,11,19H,10H2,1-3H3,(H,21,22)
InChIKeyLOSAUTIQKKFSHV-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.36
Rot. Bonds4

About N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide

N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109189494) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
PubChem CID109189494
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(NCc2ccccc2F)cn1
InChIInChI=1S/C17H20FN3O/c1-17(2,3)21-16(22)15-9-8-13(11-20-15)19-10-12-6-4-5-7-14(12)18/h4-9,11,19H,10H2,1-3H3,(H,21,22)
InChIKeyLOSAUTIQKKFSHV-UHFFFAOYSA-N
XLogP3.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189516
N-tert-butyl-5-(2-fluoroanilino)pyridine-2-carboxamide
CID 109195085
N-(3,4-dichlorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189570
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
5-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188609
5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
N-(3-chloro-4-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189536
N-[2-(4-fluorophenyl)ethyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189475
N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342
N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181224
ethyl 2-[[5-[(2-fluorophenyl)methylamino]pyridine-2-carbonyl]amino]benzoate
CID 109189577

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide (CID 109189494) is N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide is CC(C)(C)NC(=O)c1ccc(NCc2ccccc2F)cn1.
What is the InChIKey of N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is LOSAUTIQKKFSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-17(2,3)21-16(22)15-9-8-13(11-20-15)19-10-12-6-4-5-7-14(12)18/h4-9,11,19H,10H2,1-3H3,(H,21,22).
What are the key properties of N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109189494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).