2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide

C28H38N4O5 — CID 11756077

IUPAC2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide
SMILESCOc1ccc2c(C(=O)c3ccc(OCCO)nc3)nn(CC(=O)N(CCC(C)C)CCC(C)C)c2c1
InChIInChI=1S/C28H38N4O5/c1-19(2)10-12-31(13-11-20(3)4)26(34)18-32-24-16-22(36-5)7-8-23(24)27(30-32)28(35)21-6-9-25(29-17-21)37-15-14-33/h6-9,16-17,19-20,33H,10-15,18H2,1-5H3
InChIKeyLJJGWKQACUDYNO-UHFFFAOYSA-N
MW510.64 g/mol
LogP3.96
Rot. Bonds14

About 2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide

2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide (PubChem CID 11756077) has the molecular formula C28H38N4O5 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide
PubChem CID11756077
Molecular FormulaC28H38N4O5
Molecular Weight510.64 g/mol
Exact Mass510.28
IUPAC Name2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide
SMILESCOc1ccc2c(C(=O)c3ccc(OCCO)nc3)nn(CC(=O)N(CCC(C)C)CCC(C)C)c2c1
InChIInChI=1S/C28H38N4O5/c1-19(2)10-12-31(13-11-20(3)4)26(34)18-32-24-16-22(36-5)7-8-23(24)27(30-32)28(35)21-6-9-25(29-17-21)37-15-14-33/h6-9,16-17,19-20,33H,10-15,18H2,1-5H3
InChIKeyLJJGWKQACUDYNO-UHFFFAOYSA-N
XLogP3.96
TPSA106.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide (CID 11756077) is 2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide is COc1ccc2c(C(=O)c3ccc(OCCO)nc3)nn(CC(=O)N(CCC(C)C)CCC(C)C)c2c1.
What is the InChIKey of 2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide?
The InChIKey is LJJGWKQACUDYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O5/c1-19(2)10-12-31(13-11-20(3)4)26(34)18-32-24-16-22(36-5)7-8-23(24)27(30-32)28(35)21-6-9-25(29-17-21)37-15-14-33/h6-9,16-17,19-20,33H,10-15,18H2,1-5H3.
What are the key properties of 2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide?
2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide has a molecular weight of 510.64 g/mol, XLogP of 3.96, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide is sourced from PubChem (CID 11756077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).