5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide

C23H28N4O2 — CID 90041831

IUPAC5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(=O)N(C)C)nc2)CCN(C)C1
InChIInChI=1S/C23H28N4O2/c1-15-5-8-20-17(11-15)18-13-26(4)10-9-21(18)27(20)14-22(28)16-6-7-19(24-12-16)23(29)25(2)3/h5-8,11-12,22,28H,9-10,13-14H2,1-4H3
InChIKeyIXGBVMVVFFBERN-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.77
Rot. Bonds4

About 5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide

5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 90041831) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide
PubChem CID90041831
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide
SMILESCc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(=O)N(C)C)nc2)CCN(C)C1
InChIInChI=1S/C23H28N4O2/c1-15-5-8-20-17(11-15)18-13-26(4)10-9-21(18)27(20)14-22(28)16-6-7-19(24-12-16)23(29)25(2)3/h5-8,11-12,22,28H,9-10,13-14H2,1-4H3
InChIKeyIXGBVMVVFFBERN-UHFFFAOYSA-N
XLogP2.77
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide (CID 90041831) is 5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide is Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(C(=O)N(C)C)nc2)CCN(C)C1.
What is the InChIKey of 5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is IXGBVMVVFFBERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-5-8-20-17(11-15)18-13-26(4)10-9-21(18)27(20)14-22(28)16-6-7-19(24-12-16)23(29)25(2)3/h5-8,11-12,22,28H,9-10,13-14H2,1-4H3.
What are the key properties of 5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide?
5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-hydroxyethyl]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 90041831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).