N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide

C17H19FN2O2 — CID 86985471

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)N(C)Cc2cccc(F)c2)cn1
InChIInChI=1S/C17H19FN2O2/c1-12(2)22-16-8-7-14(10-19-16)17(21)20(3)11-13-5-4-6-15(18)9-13/h4-10,12H,11H2,1-3H3
InChIKeyBIKPSIXYICEXTC-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.28
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide

N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 86985471) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID86985471
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)N(C)Cc2cccc(F)c2)cn1
InChIInChI=1S/C17H19FN2O2/c1-12(2)22-16-8-7-14(10-19-16)17(21)20(3)11-13-5-4-6-15(18)9-13/h4-10,12H,11H2,1-3H3
InChIKeyBIKPSIXYICEXTC-UHFFFAOYSA-N
XLogP3.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 78872697
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid
CID 120540542
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567
N-[(3-fluorophenyl)methyl]-N-methylnaphthalene-2-carboxamide
CID 26292158
4-ethoxy-N-[(3-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 86937954
3-(dimethylamino)-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 78781530
N-[(3-fluorophenyl)methyl]-N-methyl-1-oxidopyridin-1-ium-4-carboxamide
CID 78781868
6-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 66464110
N-methyl-N-[(3-nitrophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46481099
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 28801952
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide (CID 86985471) is N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)N(C)Cc2cccc(F)c2)cn1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is BIKPSIXYICEXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12(2)22-16-8-7-14(10-19-16)17(21)20(3)11-13-5-4-6-15(18)9-13/h4-10,12H,11H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 86985471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).