N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C29H29ClN4O5S — CID 121253548

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121253548) has the molecular formula C29H29ClN4O5S and a molecular weight of 581.09 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• PubChem CID: 121253548
• Molecular Formula: C29H29ClN4O5S
• Molecular Weight: 581.09 g/mol
• Exact Mass: 580.15
• IUPAC Name: N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cc(C)c(Oc2nc(-c3ccc(Cl)c(OC(C)C)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
• InChI: InChI=1S/C29H29ClN4O5S/c1-16(2)38-24-15-20(9-11-22(24)30)23-12-10-21(28(35)34-40(36,37)26-8-6-7-25(31)33-26)29(32-23)39-27-18(4)13-17(3)14-19(27)5/h6-16H,1-5H3,(H2,31,33)(H,34,35)
• InChIKey: DGGYXCXVYHNLOJ-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 133.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.09
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121253548) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3ccc(Cl)c(OC(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-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

The InChIKey is DGGYXCXVYHNLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN4O5S/c1-16(2)38-24-15-20(9-11-22(24)30)23-12-10-21(28(35)34-40(36,37)26-8-6-7-25(31)33-26)29(32-23)39-27-18(4)13-17(3)14-19(27)5/h6-16H,1-5H3,(H2,31,33)(H,34,35).

What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 581.09 g/mol, XLogP of 6.00, 8 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-(4-chloro-3-propan-2-yloxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121253548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).