N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C28H32N4O4S — CID 121251177

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCCC1CC=C(c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Oc3c(C)cc(C)cc3C)n2)CC1
InChIInChI=1S/C28H32N4O4S/c1-5-20-9-11-21(12-10-20)23-14-13-22(27(33)32-37(34,35)25-8-6-7-24(29)31-25)28(30-23)36-26-18(3)15-17(2)16-19(26)4/h6-8,11,13-16,20H,5,9-10,12H2,1-4H3,(H2,29,31)(H,32,33)
InChIKeyHLOAFXJIKVNZNW-UHFFFAOYSA-N
MW520.66 g/mol
LogP5.49
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251177) has the molecular formula C28H32N4O4S and a molecular weight of 520.66 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121251177
Molecular FormulaC28H32N4O4S
Molecular Weight520.66 g/mol
Exact Mass520.21
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCCC1CC=C(c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Oc3c(C)cc(C)cc3C)n2)CC1
InChIInChI=1S/C28H32N4O4S/c1-5-20-9-11-21(12-10-20)23-14-13-22(27(33)32-37(34,35)25-8-6-7-24(29)31-25)28(30-23)36-26-18(3)15-17(2)16-19(26)4/h6-8,11,13-16,20H,5,9-10,12H2,1-4H3,(H2,29,31)(H,32,33)
InChIKeyHLOAFXJIKVNZNW-UHFFFAOYSA-N
XLogP5.49
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.66
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251177) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is CCC1CC=C(c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(Oc3c(C)cc(C)cc3C)n2)CC1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is HLOAFXJIKVNZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4S/c1-5-20-9-11-21(12-10-20)23-14-13-22(27(33)32-37(34,35)25-8-6-7-24(29)31-25)28(30-23)36-26-18(3)15-17(2)16-19(26)4/h6-8,11,13-16,20H,5,9-10,12H2,1-4H3,(H2,29,31)(H,32,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 520.66 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-ethylcyclohexen-1-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).