N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide

C17H20FN3O — CID 109181224

IUPACN-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCC(C)CNc1ccc(C(=O)NCc2ccccc2F)nc1
InChIInChI=1S/C17H20FN3O/c1-12(2)9-19-14-7-8-16(20-11-14)17(22)21-10-13-5-3-4-6-15(13)18/h3-8,11-12,19H,9-10H2,1-2H3,(H,21,22)
InChIKeySVGJJLHTMZYDLY-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.22
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide

N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide (PubChem CID 109181224) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
PubChem CID109181224
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCC(C)CNc1ccc(C(=O)NCc2ccccc2F)nc1
InChIInChI=1S/C17H20FN3O/c1-12(2)9-19-14-7-8-16(20-11-14)17(22)21-10-13-5-3-4-6-15(13)18/h3-8,11-12,19H,9-10H2,1-2H3,(H,21,22)
InChIKeySVGJJLHTMZYDLY-UHFFFAOYSA-N
XLogP3.22
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 104639989
N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189342
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
ethyl 4-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189443
N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189494
5-(2-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189418
5-[2-(3-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189383
methyl 2-[[6-[(2-fluorophenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109189433
N-[2-(4-fluorophenyl)ethyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189475
5-(2-methylpropylamino)-N-pentylpyridine-2-carboxamide
CID 109181275

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide (CID 109181224) is N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide is CC(C)CNc1ccc(C(=O)NCc2ccccc2F)nc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide?
The InChIKey is SVGJJLHTMZYDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12(2)9-19-14-7-8-16(20-11-14)17(22)21-10-13-5-3-4-6-15(13)18/h3-8,11-12,19H,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109181224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).