4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide

C21H23N3O2 — CID 50898950

IUPAC4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
SMILESCc1ccc2c3c(n(Cc4ccc(C(=O)NO)cc4)c2c1)CCN(C)C3
InChIInChI=1S/C21H23N3O2/c1-14-3-8-17-18-13-23(2)10-9-19(18)24(20(17)11-14)12-15-4-6-16(7-5-15)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyBHKGZSMGHYSGNO-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.10
Rot. Bonds3

About 4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide

4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide (PubChem CID 50898950) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
PubChem CID50898950
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide
SMILESCc1ccc2c3c(n(Cc4ccc(C(=O)NO)cc4)c2c1)CCN(C)C3
InChIInChI=1S/C21H23N3O2/c1-14-3-8-17-18-13-23(2)10-9-19(18)24(20(17)11-14)12-15-4-6-16(7-5-15)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyBHKGZSMGHYSGNO-UHFFFAOYSA-N
XLogP3.10
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide (CID 50898950) is 4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide is Cc1ccc2c3c(n(Cc4ccc(C(=O)NO)cc4)c2c1)CCN(C)C3.
What is the InChIKey of 4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide?
The InChIKey is BHKGZSMGHYSGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-3-8-17-18-13-23(2)10-9-19(18)24(20(17)11-14)12-15-4-6-16(7-5-15)21(25)22-26/h3-8,11,26H,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of 4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide?
4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide has a molecular weight of 349.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,7-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]-N-hydroxybenzamide is sourced from PubChem (CID 50898950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).