N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide

C23H26N4O2 — CID 10249816

IUPACN-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C23H26N4O2/c1-14-16-8-10-24-21(23(29)25-9-5-11-26(2)3)18(16)13-19-17-12-15(28)6-7-20(17)27(4)22(14)19/h6-8,10,12-13,28H,5,9,11H2,1-4H3,(H,25,29)
InChIKeyXTNHPYASATZYFN-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.58
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide

N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide (PubChem CID 10249816) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
PubChem CID10249816
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide
SMILESCc1c2ccnc(C(=O)NCCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C23H26N4O2/c1-14-16-8-10-24-21(23(29)25-9-5-11-26(2)3)18(16)13-19-17-12-15(28)6-7-20(17)27(4)22(14)19/h6-8,10,12-13,28H,5,9,11H2,1-4H3,(H,25,29)
InChIKeyXTNHPYASATZYFN-UHFFFAOYSA-N
XLogP3.58
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 42722
CID 42722
CID 91643
CID 91643
CID 42723
CID 42723
CID 72034
CID 72034
CID 177330
CID 177330
CID 11713155
CID 11713155
CID 5327850
CID 5327850
CID 5327853
CID 5327853
CID 10929854
CID 10929854
CID 11070239
CID 11070239
CID 9908441
CID 9908441
CID 11429291
CID 11429291

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide (CID 10249816) is N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide is Cc1c2ccnc(C(=O)NCCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
The InChIKey is XTNHPYASATZYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-16-8-10-24-21(23(29)25-9-5-11-26(2)3)18(16)13-19-17-12-15(28)6-7-20(17)27(4)22(14)19/h6-8,10,12-13,28H,5,9,11H2,1-4H3,(H,25,29).
What are the key properties of N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide?
N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carboxamide is sourced from PubChem (CID 10249816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).