6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide

C20H24N4O2 — CID 140631612

IUPAC6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCCC(C)c1cc2cc(OC)ccc2n1Cc1cccc(C(N)=NO)n1
InChIInChI=1S/C20H24N4O2/c1-4-13(2)19-11-14-10-16(26-3)8-9-18(14)24(19)12-15-6-5-7-17(22-15)20(21)23-25/h5-11,13,25H,4,12H2,1-3H3,(H2,21,23)
InChIKeyOTUIKUNBMCMBLS-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.70
Rot. Bonds6

About 6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide

6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide (PubChem CID 140631612) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
PubChem CID140631612
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide
SMILESCCC(C)c1cc2cc(OC)ccc2n1Cc1cccc(C(N)=NO)n1
InChIInChI=1S/C20H24N4O2/c1-4-13(2)19-11-14-10-16(26-3)8-9-18(14)24(19)12-15-6-5-7-17(22-15)20(21)23-25/h5-11,13,25H,4,12H2,1-3H3,(H2,21,23)
InChIKeyOTUIKUNBMCMBLS-UHFFFAOYSA-N
XLogP3.70
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
CID 67685173
methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate
CID 67684990
methyl 3-[(5-methoxy-2-propan-2-ylindol-1-yl)methyl]benzoate
CID 67684489
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
5-(2-methoxyethoxy)-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 175931837
5-methoxy-1-(2-methylbutyl)indole
CID 116619323
6-[(2-butan-2-yl-6-methoxy-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 69097215
5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole
CID 162070992
(2S)-2-amino-3-(5-methoxyindol-1-yl)propan-1-ol
CID 178146613
1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol
CID 135071669
N'-hydroxy-2-(3-propan-2-ylphenoxy)pyrimidine-4-carboximidamide
CID 136907170

Frequently Asked Questions

What is the IUPAC name of 6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide (CID 140631612) is 6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide is CCC(C)c1cc2cc(OC)ccc2n1Cc1cccc(C(N)=NO)n1.
What is the InChIKey of 6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is OTUIKUNBMCMBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-13(2)19-11-14-10-16(26-3)8-9-18(14)24(19)12-15-6-5-7-17(22-15)20(21)23-25/h5-11,13,25H,4,12H2,1-3H3,(H2,21,23).
What are the key properties of 6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide?
6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 352.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-butan-2-yl-5-methoxyindol-1-yl)methyl]-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 140631612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).