6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide

C19H21FN2O2 — CID 110090893

IUPAC6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(Cc2cccc(F)c2)n1)C1CCOCC1
InChIInChI=1S/C19H21FN2O2/c1-22(17-8-10-24-11-9-17)19(23)18-7-3-6-16(21-18)13-14-4-2-5-15(20)12-14/h2-7,12,17H,8-11,13H2,1H3
InChIKeyBNKHNGXJMSJWIK-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.06
Rot. Bonds4

About 6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide

6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide (PubChem CID 110090893) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
PubChem CID110090893
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(Cc2cccc(F)c2)n1)C1CCOCC1
InChIInChI=1S/C19H21FN2O2/c1-22(17-8-10-24-11-9-17)19(23)18-7-3-6-16(21-18)13-14-4-2-5-15(20)12-14/h2-7,12,17H,8-11,13H2,1H3
InChIKeyBNKHNGXJMSJWIK-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-[(4S)-4-hydroxyazepan-1-yl]methanone
CID 124995992
3-[(3-fluorophenyl)methyl]-1-methyl-1-(oxan-4-ylmethyl)urea
CID 91914985
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
3-(2-aminoethyl)-N-methyl-N-(oxan-4-yl)benzamide
CID 62591913
2-[4-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95809871
5-[(3-methoxyphenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110090895
N-[(3S)-1,1-dioxothiolan-3-yl]-6-[(3-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 124960685
2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 43611231
N-[5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-3-methyl-2-(oxan-4-ylamino)butanamide
CID 126767956
2-(dimethylamino)-1-[(3S)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810466
6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 175356691
6-[[ethyl(oxan-4-yl)amino]methyl]pyridine-2-carboxylic acid
CID 74234981

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide (CID 110090893) is 6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide is CN(C(=O)c1cccc(Cc2cccc(F)c2)n1)C1CCOCC1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
The InChIKey is BNKHNGXJMSJWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-22(17-8-10-24-11-9-17)19(23)18-7-3-6-16(21-18)13-14-4-2-5-15(20)12-14/h2-7,12,17H,8-11,13H2,1H3.
What are the key properties of 6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide?
6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 110090893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).