2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide

C20H19ClN4O4S — CID 139458764

IUPAC2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide
SMILESCCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3C)c(Cl)n2)n1
InChIInChI=1S/C20H19ClN4O4S/c1-4-29-18-11-12(2)10-16(23-18)15-8-7-14(19(21)24-15)20(26)25-30(27,28)17-6-5-9-22-13(17)3/h5-11H,4H2,1-3H3,(H,25,26)
InChIKeyOKJQHQLEMHUNMC-UHFFFAOYSA-N
MW446.92 g/mol
LogP3.33
Rot. Bonds6

About 2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide

2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide (PubChem CID 139458764) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is 2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide
PubChem CID139458764
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC Name2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide
SMILESCCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3C)c(Cl)n2)n1
InChIInChI=1S/C20H19ClN4O4S/c1-4-29-18-11-12(2)10-16(23-18)15-8-7-14(19(21)24-15)20(26)25-30(27,28)17-6-5-9-22-13(17)3/h5-11H,4H2,1-3H3,(H,25,26)
InChIKeyOKJQHQLEMHUNMC-UHFFFAOYSA-N
XLogP3.33
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide (CID 139458764) is 2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide is CCOc1cc(C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3C)c(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide?
The InChIKey is OKJQHQLEMHUNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c1-4-29-18-11-12(2)10-16(23-18)15-8-7-14(19(21)24-15)20(26)25-30(27,28)17-6-5-9-22-13(17)3/h5-11H,4H2,1-3H3,(H,25,26).
What are the key properties of 2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide?
2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide has a molecular weight of 446.92 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(6-ethoxy-4-methyl-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 139458764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).