N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide

C25H29N5O6S — CID 166918469

About N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide

N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 166918469) has the molecular formula C25H29N5O6S and a molecular weight of 527.60 g/mol. Its IUPAC name is N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide
• PubChem CID: 166918469
• Molecular Formula: C25H29N5O6S
• Molecular Weight: 527.60 g/mol
• Exact Mass: 527.18
• IUPAC Name: N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Nc2cc(OC3CC(O)C3)cc(S(C)(=O)=O)n2)c(-c2ccc(C(C)(C)O)cn2)cn1
• InChI: InChI=1S/C25H29N5O6S/c1-14(31)28-22-11-21(19(13-27-22)20-6-5-15(12-26-20)25(2,3)33)29-23-9-18(36-17-7-16(32)8-17)10-24(30-23)37(4,34)35/h5-6,9-13,16-17,32-33H,7-8H2,1-4H3,(H2,27,28,29,30,31)
• InChIKey: DCZXTSIGKYHACG-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 163.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.60
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide (CID 166918469) is N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(OC3CC(O)C3)cc(S(C)(=O)=O)n2)c(-c2ccc(C(C)(C)O)cn2)cn1.

What is the InChIKey of N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide?

The InChIKey is DCZXTSIGKYHACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O6S/c1-14(31)28-22-11-21(19(13-27-22)20-6-5-15(12-26-20)25(2,3)33)29-23-9-18(36-17-7-16(32)8-17)10-24(30-23)37(4,34)35/h5-6,9-13,16-17,32-33H,7-8H2,1-4H3,(H2,27,28,29,30,31).

What are the key properties of N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide?

N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 527.60 g/mol, XLogP of 2.77, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(3-hydroxycyclobutyl)oxy-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166918469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).