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

C27H32N4O5S — CID 121251956

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(C3CCOC(C)(C)C3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C27H32N4O5S/c1-16-13-17(2)24(18(3)14-16)36-26-20(9-10-21(29-26)19-11-12-35-27(4,5)15-19)25(32)31-37(33,34)23-8-6-7-22(28)30-23/h6-10,13-14,19H,11-12,15H2,1-5H3,(H2,28,30)(H,31,32)
InChIKeyRSGLAOPVQYDSIA-UHFFFAOYSA-N
MW524.64 g/mol
LogP4.57
Rot. Bonds6

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251956) has the molecular formula C27H32N4O5S and a molecular weight of 524.64 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121251956
Molecular FormulaC27H32N4O5S
Molecular Weight524.64 g/mol
Exact Mass524.21
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(C3CCOC(C)(C)C3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C27H32N4O5S/c1-16-13-17(2)24(18(3)14-16)36-26-20(9-10-21(29-26)19-11-12-35-27(4,5)15-19)25(32)31-37(33,34)23-8-6-7-22(28)30-23/h6-10,13-14,19H,11-12,15H2,1-5H3,(H2,28,30)(H,31,32)
InChIKeyRSGLAOPVQYDSIA-UHFFFAOYSA-N
XLogP4.57
TPSA133.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.64
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide 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-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251956) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(C3CCOC(C)(C)C3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is RSGLAOPVQYDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5S/c1-16-13-17(2)24(18(3)14-16)36-26-20(9-10-21(29-26)19-11-12-35-27(4,5)15-19)25(32)31-37(33,34)23-8-6-7-22(28)30-23/h6-10,13-14,19H,11-12,15H2,1-5H3,(H2,28,30)(H,31,32).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 524.64 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).