6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C19H23N5O3S — CID 58561164

IUPAC6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cn2)c1
InChIInChI=1S/C19H23N5O3S/c1-13-19(14(2)24(3)22-13)23-28(25,26)17-8-9-18(21-12-17)20-11-15-6-5-7-16(10-15)27-4/h5-10,12,23H,11H2,1-4H3,(H,20,21)
InChIKeyWTFSJOAAFNNFOW-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.85
Rot. Bonds7

About 6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 58561164) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID58561164
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cn2)c1
InChIInChI=1S/C19H23N5O3S/c1-13-19(14(2)24(3)22-13)23-28(25,26)17-8-9-18(21-12-17)20-11-15-6-5-7-16(10-15)27-4/h5-10,12,23H,11H2,1-4H3,(H,20,21)
InChIKeyWTFSJOAAFNNFOW-UHFFFAOYSA-N
XLogP2.85
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 58561164) is 6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is COc1cccc(CNc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cn2)c1.
What is the InChIKey of 6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is WTFSJOAAFNNFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-13-19(14(2)24(3)22-13)23-28(25,26)17-8-9-18(21-12-17)20-11-15-6-5-7-16(10-15)27-4/h5-10,12,23H,11H2,1-4H3,(H,20,21).
What are the key properties of 6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 401.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxyphenyl)methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 58561164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).