N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide

C22H25N5O2 — CID 70151143

IUPACN'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide
SMILESCc1c2ccnc(C(=O)NNCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C22H25N5O2/c1-13-15-7-8-23-20(22(29)25-24-9-10-26(2)3)17(15)12-18-16-11-14(28)5-6-19(16)27(4)21(13)18/h5-8,11-12,24,28H,9-10H2,1-4H3,(H,25,29)
InChIKeyKPZRGXAZVSXNGV-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.69
Rot. Bonds5

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

N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide (PubChem CID 70151143) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide
PubChem CID70151143
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide
SMILESCc1c2ccnc(C(=O)NNCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12
InChIInChI=1S/C22H25N5O2/c1-13-15-7-8-23-20(22(29)25-24-9-10-26(2)3)17(15)12-18-16-11-14(28)5-6-19(16)27(4)21(13)18/h5-8,11-12,24,28H,9-10H2,1-4H3,(H,25,29)
InChIKeyKPZRGXAZVSXNGV-UHFFFAOYSA-N
XLogP2.69
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Elliptinium Acetate
CID 42722
9-Hydroxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium
CID 42723
Datelliptium Chloride
CID 72034
S-16020
CID 177330
N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,10-trimethylpyrido[4,3-b]carbazole-1-carboxamide
CID 9908441
Datelliptium
CID 72035
N(2),N(6)-Dimethyl-9-hydroxyellipticinium
CID 125770
5-[1-[2-(Dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl]oxy-5-oxopentanoic acid
CID 3038508
9-Hydroxy-5,11-dimethyl-2-(2-(piperidyl)ethyl)-6H-pyrido(4,3-b)carbazolium acetate
CID 3086132
1-[(2-Dimethylaminoethyl)aminocarbonyl]-5,6-dimethyl-9-(5-carboxypentanoyloxy)-6H-pyrido[4,3-b]carbazole
CID 9827468
N-[2-(dimethylamino)ethyl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
CID 9999601
N-[2-(dimethylamino)ethyl]-6-ethyl-9-hydroxy-5-methylpyrido[4,3-b]carbazole-1-carboxamide
CID 10023296

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide (CID 70151143) is N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide is Cc1c2ccnc(C(=O)NNCCN(C)C)c2cc2c3cc(O)ccc3n(C)c12.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide?
The InChIKey is KPZRGXAZVSXNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13-15-7-8-23-20(22(29)25-24-9-10-26(2)3)17(15)12-18-16-11-14(28)5-6-19(16)27(4)21(13)18/h5-8,11-12,24,28H,9-10H2,1-4H3,(H,25,29).
What are the key properties of N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide?
N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide has a molecular weight of 391.48 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-9-hydroxy-5,6-dimethylpyrido[4,3-b]carbazole-1-carbohydrazide is sourced from PubChem (CID 70151143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).