N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

C20H22N4O4S — CID 163420371

About N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 163420371) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
• PubChem CID: 163420371
• Molecular Formula: C20H22N4O4S
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.14
• IUPAC Name: N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
• SMILES: COC1=CC=CCC1S(=O)(=O)Nc1cc(-c2ccnc(NC(C)=O)c2)cnc1C
• InChI: InChI=1S/C20H22N4O4S/c1-13-17(24-29(26,27)19-7-5-4-6-18(19)28-3)10-16(12-22-13)15-8-9-21-20(11-15)23-14(2)25/h4-6,8-12,19,24H,7H2,1-3H3,(H,21,23,25)
• InChIKey: AHYIILOINHTGQE-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 110.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide (CID 163420371) is N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is COC1=CC=CCC1S(=O)(=O)Nc1cc(-c2ccnc(NC(C)=O)c2)cnc1C.

What is the InChIKey of N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

The InChIKey is AHYIILOINHTGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-13-17(24-29(26,27)19-7-5-4-6-18(19)28-3)10-16(12-22-13)15-8-9-21-20(11-15)23-14(2)25/h4-6,8-12,19,24H,7H2,1-3H3,(H,21,23,25).

What are the key properties of N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide?

N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 414.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[(2-methoxycyclohexa-2,4-dien-1-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 163420371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).