6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

C27H29N3O5S — CID 161121379

IUPAC6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
SMILESCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C27H25N3O5S.2H2/c1-16-7-9-20(10-8-16)22-12-11-21(25(31)30-36(33,34)23-6-5-13-28-26(23)32)27(29-22)35-24-18(3)14-17(2)15-19(24)4;;/h5-15H,1-4H3,(H,28,32)(H,30,31);2*1H
InChIKeyUKZMPPXPLPNXJA-UHFFFAOYSA-N
MW507.61 g/mol
LogP5.07
Rot. Bonds6

About 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen

6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (PubChem CID 161121379) has the molecular formula C27H29N3O5S and a molecular weight of 507.61 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
PubChem CID161121379
Molecular FormulaC27H29N3O5S
Molecular Weight507.61 g/mol
Exact Mass507.18
IUPAC Name6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen
SMILESCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)cc1.[H][H].[H][H]
InChIInChI=1S/C27H25N3O5S.2H2/c1-16-7-9-20(10-8-16)22-12-11-21(25(31)30-36(33,34)23-6-5-13-28-26(23)32)27(29-22)35-24-18(3)14-17(2)15-19(24)4;;/h5-15H,1-4H3,(H,28,32)(H,30,31);2*1H
InChIKeyUKZMPPXPLPNXJA-UHFFFAOYSA-N
XLogP5.07
TPSA118.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen (CID 161121379) is 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(Oc3c(C)cc(C)cc3C)n2)cc1.[H][H].[H][H].
What is the InChIKey of 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
The InChIKey is UKZMPPXPLPNXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5S.2H2/c1-16-7-9-20(10-8-16)22-12-11-21(25(31)30-36(33,34)23-6-5-13-28-26(23)32)27(29-22)35-24-18(3)14-17(2)15-19(24)4;;/h5-15H,1-4H3,(H,28,32)(H,30,31);2*1H.
What are the key properties of 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen?
6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 507.61 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 161121379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).