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

C22H23N3O2 — CID 50898672

IUPACN-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
SMILESC=CCN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1
InChIInChI=1S/C22H23N3O2/c1-2-12-24-13-11-21-19(15-24)18-5-3-4-6-20(18)25(21)14-16-7-9-17(10-8-16)22(26)23-27/h2-10,27H,1,11-15H2,(H,23,26)
InChIKeyBUCKBBWDNNWXMP-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.35
Rot. Bonds5

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

N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide (PubChem CID 50898672) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
PubChem CID50898672
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
SMILESC=CCN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1
InChIInChI=1S/C22H23N3O2/c1-2-12-24-13-11-21-19(15-24)18-5-3-4-6-20(18)25(21)14-16-7-9-17(10-8-16)22(26)23-27/h2-10,27H,1,11-15H2,(H,23,26)
InChIKeyBUCKBBWDNNWXMP-UHFFFAOYSA-N
XLogP3.35
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.35
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': 'isolated_alkene', '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 N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide (CID 50898672) is N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide is C=CCN1CCc2c(c3ccccc3n2Cc2ccc(C(=O)NO)cc2)C1.
What is the InChIKey of N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?
The InChIKey is BUCKBBWDNNWXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-12-24-13-11-21-19(15-24)18-5-3-4-6-20(18)25(21)14-16-7-9-17(10-8-16)22(26)23-27/h2-10,27H,1,11-15H2,(H,23,26).
What are the key properties of N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide?
N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(2-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide is sourced from PubChem (CID 50898672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).