N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide

C21H23N3O3 — CID 56950027

IUPACN-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CCN(C)C1
InChIInChI=1S/C21H23N3O3/c1-23-10-9-20-18(13-23)17-11-16(27-2)7-8-19(17)24(20)12-14-3-5-15(6-4-14)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyYHBNFJOUHJUKJZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.81
Rot. Bonds4

About N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide

N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide (PubChem CID 56950027) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
PubChem CID56950027
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CCN(C)C1
InChIInChI=1S/C21H23N3O3/c1-23-10-9-20-18(13-23)17-11-16(27-2)7-8-19(17)24(20)12-14-3-5-15(6-4-14)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyYHBNFJOUHJUKJZ-UHFFFAOYSA-N
XLogP2.81
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide with MolForge

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Related Compounds

Oxametacin
CID 33675
Hortiacine
CID 378227
Pci-34051
CID 24753719
LM-4108
CID 4292
Asp-9521
CID 25210792
2,3,4,9-Tetrahydro-6-methoxy-1H-pyrido(3,4-b)indol-1-one
CID 87372
4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-butyric acid
CID 3710
(3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-)-Phosphonic Acid
CID 3711
Benanserin Hydrochloride
CID 10670
1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetamide
CID 22633
Piperazine, 1-((5-methoxyindol-2-yl)carbonyl)-4-methyl-
CID 206876
Iodoindomethacin
CID 447835

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide (CID 56950027) is N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide is COc1ccc2c(c1)c1c(n2Cc2ccc(C(=O)NO)cc2)CCN(C)C1.
What is the InChIKey of N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?
The InChIKey is YHBNFJOUHJUKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-23-10-9-20-18(13-23)17-11-16(27-2)7-8-19(17)24(20)12-14-3-5-15(6-4-14)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?
N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide is sourced from PubChem (CID 56950027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).