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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Related Compounds

2-[[6-[[[4-(3-ethoxyphenyl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 118689988
ethyl 2-[[6-[[[4-(3-prop-1-ynylphenyl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetate
CID 86295319
CID 66921358
CID 66921358
6-[benzenesulfonyl-[[4-(3-ethoxyphenyl)phenyl]methylamino]methyl]pyridin-2-amine
CID 141422109
2-[3-[[pyridin-3-ylsulfonyl-[[4-(1,3-thiazol-2-yl)phenyl]methyl]amino]methyl]phenoxy]acetic acid
CID 10206935
2-[3-[[[4-(1,2-dihydroxypropan-2-yl)phenyl]methyl-pyridin-3-ylsulfonylamino]methyl]phenoxy]acetic acid
CID 10238971
3-[[6-[[(4-tert-butylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]propanoic acid;hydrochloride
CID 155521506
3-[3-[[pyridin-3-ylsulfonyl-[(4-pyrimidin-5-ylphenyl)methyl]amino]methyl]phenyl]propanoic acid
CID 18376209
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[6-[[(4-pyridin-2-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]amino]acetate
CID 123390450
2-[[6-[3-[4-(3-ethoxyphenyl)phenyl]-1-(pyridin-3-ylsulfonylamino)propyl]-2-pyridinyl]amino]acetic acid
CID 122422758
propan-2-yl 3-[6-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]-2-pyridinyl]propanoate
CID 146834215
N-[(3-hydroxyphenyl)methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyridine-3-sulfonamide
CID 54464401

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).