9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide

C22H24N4O3 — CID 10475622

IUPAC9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCNCCO)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C22H24N4O3/c1-13-15-5-6-24-20(22(29)25-8-7-23-9-10-27)17(15)12-18-16-11-14(28)3-4-19(16)26(2)21(13)18/h3-6,11-12,23,27-28H,7-10H2,1-2H3,(H,25,29)
InChIKeyYZXYCGSCNKUVML-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.21
Rot. Bonds6

About 9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide

9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 10475622) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide.

Molecular Properties

Compound Name9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
PubChem CID10475622
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCNCCO)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C22H24N4O3/c1-13-15-5-6-24-20(22(29)25-8-7-23-9-10-27)17(15)12-18-16-11-14(28)3-4-19(16)26(2)21(13)18/h3-6,11-12,23,27-28H,7-10H2,1-2H3,(H,25,29)
InChIKeyYZXYCGSCNKUVML-UHFFFAOYSA-N
XLogP2.21
TPSA99.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The IUPAC name of 9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide (CID 10475622) is 9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide.
What is the SMILES notation for 9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The canonical SMILES for 9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide is Cc1c2ccnc(C(=O)NCCNCCO)c2cc2c3cc(O)ccc3n(C)c12.
What is the InChIKey of 9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The InChIKey is YZXYCGSCNKUVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-13-15-5-6-24-20(22(29)25-8-7-23-9-10-27)17(15)12-18-16-11-14(28)3-4-19(16)26(2)21(13)18/h3-6,11-12,23,27-28H,7-10H2,1-2H3,(H,25,29).
What are the key properties of 9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-N-[2-(2-hydroxyethylamino)ethyl]-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 10475622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).