N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide

C26H26N4O3S — CID 118690001

IUPACN-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide
SMILESCCOc1cccc(-c2ccc(CN(Cc3cccc(N)n3)S(=O)(=O)c3cccnc3)cc2)c1
InChIInChI=1S/C26H26N4O3S/c1-2-33-24-8-3-6-22(16-24)21-13-11-20(12-14-21)18-30(19-23-7-4-10-26(27)29-23)34(31,32)25-9-5-15-28-17-25/h3-17H,2,18-19H2,1H3,(H2,27,29)
InChIKeyUZYMCSZWOBXZDQ-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.52
Rot. Bonds9

About N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide

N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide (PubChem CID 118690001) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide
PubChem CID118690001
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide
SMILESCCOc1cccc(-c2ccc(CN(Cc3cccc(N)n3)S(=O)(=O)c3cccnc3)cc2)c1
InChIInChI=1S/C26H26N4O3S/c1-2-33-24-8-3-6-22(16-24)21-13-11-20(12-14-21)18-30(19-23-7-4-10-26(27)29-23)34(31,32)25-9-5-15-28-17-25/h3-17H,2,18-19H2,1H3,(H2,27,29)
InChIKeyUZYMCSZWOBXZDQ-UHFFFAOYSA-N
XLogP4.52
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide (CID 118690001) is N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide is CCOc1cccc(-c2ccc(CN(Cc3cccc(N)n3)S(=O)(=O)c3cccnc3)cc2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide?
The InChIKey is UZYMCSZWOBXZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-2-33-24-8-3-6-22(16-24)21-13-11-20(12-14-21)18-30(19-23-7-4-10-26(27)29-23)34(31,32)25-9-5-15-28-17-25/h3-17H,2,18-19H2,1H3,(H2,27,29).
What are the key properties of N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide?
N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide has a molecular weight of 474.59 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)methyl]-N-[[4-(3-ethoxyphenyl)phenyl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 118690001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).