N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine

C19H24FN3O3S — CID 31920963

IUPACN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1F
InChIInChI=1S/C19H24FN3O3S/c1-22(14-15-6-8-18(26-2)17(20)12-15)19-9-7-16(13-21-19)27(24,25)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3
InChIKeyFJLLOKKDOXEMFJ-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.04
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine

N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine (PubChem CID 31920963) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
PubChem CID31920963
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
SMILESCOc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1F
InChIInChI=1S/C19H24FN3O3S/c1-22(14-15-6-8-18(26-2)17(20)12-15)19-9-7-16(13-21-19)27(24,25)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3
InChIKeyFJLLOKKDOXEMFJ-UHFFFAOYSA-N
XLogP3.04
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
N-methyl-5-piperidin-1-ylsulfonyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 134017977
N-[[3-(dimethylamino)phenyl]methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133385878
N-methyl-5-pyrrolidin-1-ylsulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 8892754
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 9195193
N-[(4-ethylphenyl)methyl]-N-methyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 17470060
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 43016049
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-4-morpholin-4-ylsulfonyl-2-nitroaniline
CID 31920923
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133308607
(3-fluoro-4-methoxyphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2630914
6-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 39794843
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine (CID 31920963) is N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine is COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCCC3)cn2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is FJLLOKKDOXEMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-22(14-15-6-8-18(26-2)17(20)12-15)19-9-7-16(13-21-19)27(24,25)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11,14H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine?
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 393.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 31920963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).