6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

C28H32N4O5S — CID 158030008

IUPAC6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
SMILESCC(=O)N1CC=C(c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)CC1.[H][H]
InChIInChI=1S/C28H30N4O5S.H2/c1-17-15-18(2)26(19(3)16-17)37-28-23(27(34)31-38(35,36)25-8-6-7-20(4)29-25)9-10-24(30-28)22-11-13-32(14-12-22)21(5)33;/h6-11,15-16H,12-14H2,1-5H3,(H,31,34);1H
InChIKeyFHBJORSXRXTQDV-UHFFFAOYSA-N
MW536.65 g/mol
LogP4.50
Rot. Bonds6

About 6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158030008) has the molecular formula C28H32N4O5S and a molecular weight of 536.65 g/mol. Its IUPAC name is 6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
PubChem CID158030008
Molecular FormulaC28H32N4O5S
Molecular Weight536.65 g/mol
Exact Mass536.21
IUPAC Name6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
SMILESCC(=O)N1CC=C(c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)CC1.[H][H]
InChIInChI=1S/C28H30N4O5S.H2/c1-17-15-18(2)26(19(3)16-17)37-28-23(27(34)31-38(35,36)25-8-6-7-20(4)29-25)9-10-24(30-28)22-11-13-32(14-12-22)21(5)33;/h6-11,15-16H,12-14H2,1-5H3,(H,31,34);1H
InChIKeyFHBJORSXRXTQDV-UHFFFAOYSA-N
XLogP4.50
TPSA118.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.65
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen 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 6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (CID 158030008) is 6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is CC(=O)N1CC=C(c2ccc(C(=O)NS(=O)(=O)c3cccc(C)n3)c(Oc3c(C)cc(C)cc3C)n2)CC1.[H][H].
What is the InChIKey of 6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
The InChIKey is FHBJORSXRXTQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O5S.H2/c1-17-15-18(2)26(19(3)16-17)37-28-23(27(34)31-38(35,36)25-8-6-7-20(4)29-25)9-10-24(30-28)22-11-13-32(14-12-22)21(5)33;/h6-11,15-16H,12-14H2,1-5H3,(H,31,34);1H.
What are the key properties of 6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 536.65 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-N-[(6-methyl-2-pyridinyl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158030008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).