N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine

C27H24N4O3S — CID 1481480

IUPACN-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine
SMILESCN(CCOc1ccc(-c2ccn(S(=O)(=O)c3cccc4ccccc34)n2)cc1)c1ccccn1
InChIInChI=1S/C27H24N4O3S/c1-30(27-11-4-5-17-28-27)19-20-34-23-14-12-22(13-15-23)25-16-18-31(29-25)35(32,33)26-10-6-8-21-7-2-3-9-24(21)26/h2-18H,19-20H2,1H3
InChIKeyOOMJVECYVYYBIE-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.85
Rot. Bonds8

About N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine

N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine (PubChem CID 1481480) has the molecular formula C27H24N4O3S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine
PubChem CID1481480
Molecular FormulaC27H24N4O3S
Molecular Weight484.58 g/mol
Exact Mass484.16
IUPAC NameN-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine
SMILESCN(CCOc1ccc(-c2ccn(S(=O)(=O)c3cccc4ccccc34)n2)cc1)c1ccccn1
InChIInChI=1S/C27H24N4O3S/c1-30(27-11-4-5-17-28-27)19-20-34-23-14-12-22(13-15-23)25-16-18-31(29-25)35(32,33)26-10-6-8-21-7-2-3-9-24(21)26/h2-18H,19-20H2,1H3
InChIKeyOOMJVECYVYYBIE-UHFFFAOYSA-N
XLogP4.85
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine (CID 1481480) is N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine is CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3cccc4ccccc34)n2)cc1)c1ccccn1.
What is the InChIKey of N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine?
The InChIKey is OOMJVECYVYYBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S/c1-30(27-11-4-5-17-28-27)19-20-34-23-14-12-22(13-15-23)25-16-18-31(29-25)35(32,33)26-10-6-8-21-7-2-3-9-24(21)26/h2-18H,19-20H2,1H3.
What are the key properties of N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine?
N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine has a molecular weight of 484.58 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-(1-naphthalen-1-ylsulfonylpyrazol-3-yl)phenoxy]ethyl]pyridin-2-amine is sourced from PubChem (CID 1481480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).