N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide

C20H19N3O2 — CID 162755179

IUPACN-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
SMILESCc1c2ccncc2cc2c3cc(C(=O)NCCO)ccc3n(C)c12
InChIInChI=1S/C20H19N3O2/c1-12-15-5-6-21-11-14(15)10-17-16-9-13(20(25)22-7-8-24)3-4-18(16)23(2)19(12)17/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)
InChIKeyHMXJXCXSSYYKLH-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.91
Rot. Bonds3

About N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide

N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide (PubChem CID 162755179) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
PubChem CID162755179
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
SMILESCc1c2ccncc2cc2c3cc(C(=O)NCCO)ccc3n(C)c12
InChIInChI=1S/C20H19N3O2/c1-12-15-5-6-21-11-14(15)10-17-16-9-13(20(25)22-7-8-24)3-4-18(16)23(2)19(12)17/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)
InChIKeyHMXJXCXSSYYKLH-UHFFFAOYSA-N
XLogP2.91
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide (CID 162755179) is N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide is Cc1c2ccncc2cc2c3cc(C(=O)NCCO)ccc3n(C)c12.
What is the InChIKey of N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
The InChIKey is HMXJXCXSSYYKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-15-5-6-21-11-14(15)10-17-16-9-13(20(25)22-7-8-24)3-4-18(16)23(2)19(12)17/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25).
What are the key properties of N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide?
N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide is sourced from PubChem (CID 162755179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).