N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine

C17H16N2O3S — CID 167642388

IUPACN-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine
SMILESCS(=O)(=O)c1ccc(-c2cncc(NCc3ccoc3)c2)cc1
InChIInChI=1S/C17H16N2O3S/c1-23(20,21)17-4-2-14(3-5-17)15-8-16(11-18-10-15)19-9-13-6-7-22-12-13/h2-8,10-12,19H,9H2,1H3
InChIKeyDHPNHOUQXUGFQG-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.36
Rot. Bonds5

About N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine

N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine (PubChem CID 167642388) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine
PubChem CID167642388
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine
SMILESCS(=O)(=O)c1ccc(-c2cncc(NCc3ccoc3)c2)cc1
InChIInChI=1S/C17H16N2O3S/c1-23(20,21)17-4-2-14(3-5-17)15-8-16(11-18-10-15)19-9-13-6-7-22-12-13/h2-8,10-12,19H,9H2,1H3
InChIKeyDHPNHOUQXUGFQG-UHFFFAOYSA-N
XLogP3.36
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-3-ylmethyl)-5-methoxy-6-(4-methylsulfonylphenyl)pyridin-2-amine
CID 167628850
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyrazine
CID 167564562
2-(furan-3-ylmethoxy)-6-(4-methylsulfonylphenyl)pyridine
CID 167617030
N-[2-fluoro-5-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204406
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
N-(furan-3-ylmethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 55161070
2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105029850
5-N-(4-methylsulfonylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532326
N-(furan-3-ylmethyl)aniline
CID 18938795
[2-(furan-3-yl)-1-(4-methylsulfonylphenyl)ethyl]hydrazine
CID 105331705
[4-[5-[(3,4-dichlorophenyl)methylamino]-3-pyridinyl]phenyl]methanol
CID 71424003
N-[2-(furan-3-ylmethylamino)phenyl]methanesulfonamide
CID 63204687

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine?
The IUPAC name of N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine (CID 167642388) is N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine is CS(=O)(=O)c1ccc(-c2cncc(NCc3ccoc3)c2)cc1.
What is the InChIKey of N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine?
The InChIKey is DHPNHOUQXUGFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-23(20,21)17-4-2-14(3-5-17)15-8-16(11-18-10-15)19-9-13-6-7-22-12-13/h2-8,10-12,19H,9H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine?
N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine has a molecular weight of 328.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-5-(4-methylsulfonylphenyl)pyridin-3-amine is sourced from PubChem (CID 167642388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).