N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide

C23H28N4O4 — CID 10070999

IUPACN-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide
SMILESCCCCN(CC)C(=O)Cn1nc(C(=O)c2ccc(CO)nc2)c2ccc(OC)cc21
InChIInChI=1S/C23H28N4O4/c1-4-6-11-26(5-2)21(29)14-27-20-12-18(31-3)9-10-19(20)22(25-27)23(30)16-7-8-17(15-28)24-13-16/h7-10,12-13,28H,4-6,11,14-15H2,1-3H3
InChIKeyCCLWVPZEHOWELR-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.81
Rot. Bonds10

About N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide

N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide (PubChem CID 10070999) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide
PubChem CID10070999
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide
SMILESCCCCN(CC)C(=O)Cn1nc(C(=O)c2ccc(CO)nc2)c2ccc(OC)cc21
InChIInChI=1S/C23H28N4O4/c1-4-6-11-26(5-2)21(29)14-27-20-12-18(31-3)9-10-19(20)22(25-27)23(30)16-7-8-17(15-28)24-13-16/h7-10,12-13,28H,4-6,11,14-15H2,1-3H3
InChIKeyCCLWVPZEHOWELR-UHFFFAOYSA-N
XLogP2.81
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-butyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxyindazol-1-yl]-N-propylacetamide
CID 11740930
N,N-dibutyl-2-(6-methoxy-3-methylindazol-1-yl)acetamide
CID 143018288
2-[3-[6-(2-hydroxyethoxy)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]-N,N-bis(3-methylbutyl)acetamide
CID 11756077
1-[6-methoxy-3-[6-(phosphorosooxymethyl)pyridine-3-carbonyl]indazol-1-yl]-3,3-dimethylbutan-2-one
CID 71024133
N-ethyl-N-[3-[4-[3-[ethyl-[2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetyl]amino]propyl]piperazin-1-yl]propyl]-2-[6-methoxy-3-(2-methylpropanoyl)indazol-1-yl]acetamide
CID 24965110
1-[3-[4-(hydroxymethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one
CID 10317635
2-[3-(4-fluorobenzoyl)-6-methoxyindazol-1-yl]acetic acid
CID 170857608
[1-[1-[2-[3,3-dimethylbutyl(ethyl)amino]-2-oxoethyl]-6-methoxyindazol-3-yl]-2-methylprop-1-enyl] dihydrogen phosphate
CID 11525606
1-(3-benzoyl-6-methoxyindazol-1-yl)propan-2-one
CID 71010883
2-[6-methoxy-3-[2-(3-methylphenyl)acetyl]indazol-1-yl]-N,N-dipropylacetamide
CID 142895372
2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide
CID 11281617
1-[3-[4-(2-hydroxyethyl)benzoyl]-6-methoxyindazol-1-yl]-3,3-dimethylbutan-2-one
CID 10092024

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide?
The IUPAC name of N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide (CID 10070999) is N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide is CCCCN(CC)C(=O)Cn1nc(C(=O)c2ccc(CO)nc2)c2ccc(OC)cc21.
What is the InChIKey of N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide?
The InChIKey is CCLWVPZEHOWELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-4-6-11-26(5-2)21(29)14-27-20-12-18(31-3)9-10-19(20)22(25-27)23(30)16-7-8-17(15-28)24-13-16/h7-10,12-13,28H,4-6,11,14-15H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide?
N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide has a molecular weight of 424.50 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-[3-[6-(hydroxymethyl)pyridine-3-carbonyl]-6-methoxyindazol-1-yl]acetamide is sourced from PubChem (CID 10070999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).