9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide

C23H26N4O3 — CID 130265690

IUPAC9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
SMILESCC1CN(C(=O)N(C)C)Cc2c1c1ccccc1n2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C23H26N4O3/c1-15-12-26(23(29)25(2)3)14-20-21(15)18-6-4-5-7-19(18)27(20)13-16-8-10-17(11-9-16)22(28)24-30/h4-11,15,30H,12-14H2,1-3H3,(H,24,28)
InChIKeyKAVQVYQLLHAHFM-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.41
Rot. Bonds3

About 9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide

9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide (PubChem CID 130265690) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide.

Molecular Properties

Compound Name9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
PubChem CID130265690
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
SMILESCC1CN(C(=O)N(C)C)Cc2c1c1ccccc1n2Cc1ccc(C(=O)NO)cc1
InChIInChI=1S/C23H26N4O3/c1-15-12-26(23(29)25(2)3)14-20-21(15)18-6-4-5-7-19(18)27(20)13-16-8-10-17(11-9-16)22(28)24-30/h4-11,15,30H,12-14H2,1-3H3,(H,24,28)
InChIKeyKAVQVYQLLHAHFM-UHFFFAOYSA-N
XLogP3.41
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.41
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'}

Analyze 9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[[acetyl(methyl)amino]methyl]-4-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]-N-hydroxybenzamide
CID 155160275
4-[[2-[formyl(methyl)carbamoyl]-4-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzoic acid
CID 118884500
4-(9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-ylmethyl)-N-hydroxybenzamide
CID 118868657
N-ethyl-2-formyl-5-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-1-carboxamide
CID 137397839
4-(9,12-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-ylmethyl)-N-methylbenzamide
CID 130258049
N-hydroxy-4-[[2-(4-propylbenzoyl)-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl]methyl]benzamide
CID 162517986
N-hydroxy-4-(1,2,3,4-tetrahydropyrido[3,4-b]indol-9-ylmethyl)benzamide
CID 50899051
4-[(2,2-dimethyl-4-oxo-1,3-dihydrocarbazol-9-yl)methyl]-N-hydroxybenzamide
CID 71525388
N-hydroxy-4-[(2-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
CID 163280305
1-fluoro-2-hydroperoxyethyne;N-hydroxy-4-[(2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)methyl]benzamide
CID 53394750
4-formyl-9-[[4-(hydroxycarbamoyl)phenyl]methyl]-6-methoxy-N-methyl-N-[3-(prop-2-enoylamino)propyl]-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide
CID 166835518
N-hydroxy-4-[(6-methyl-4,7-dioxo-3,6,19-triazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),13,15,17-tetraen-19-yl)methyl]benzamide
CID 130265519

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide?
The IUPAC name of 9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide (CID 130265690) is 9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide.
What is the SMILES notation for 9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide?
The canonical SMILES for 9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide is CC1CN(C(=O)N(C)C)Cc2c1c1ccccc1n2Cc1ccc(C(=O)NO)cc1.
What is the InChIKey of 9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide?
The InChIKey is KAVQVYQLLHAHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-12-26(23(29)25(2)3)14-20-21(15)18-6-4-5-7-19(18)27(20)13-16-8-10-17(11-9-16)22(28)24-30/h4-11,15,30H,12-14H2,1-3H3,(H,24,28).
What are the key properties of 9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide?
9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(hydroxycarbamoyl)phenyl]methyl]-N,N,4-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxamide is sourced from PubChem (CID 130265690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).