5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide

C22H25N5O2 — CID 12000778

IUPAC5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide
SMILESCNC(=O)NCCNC(=O)N1C=Cc2c(c(C)c3c([nH]c4ccccc43)c2C)C1
InChIInChI=1S/C22H25N5O2/c1-13-17-12-27(22(29)25-10-9-24-21(28)23-3)11-8-15(17)14(2)20-19(13)16-6-4-5-7-18(16)26-20/h4-8,11,26H,9-10,12H2,1-3H3,(H,25,29)(H2,23,24,28)
InChIKeyDCCSQRSGTMEYPE-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.36
Rot. Bonds3

About 5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide

5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide (PubChem CID 12000778) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide.

Molecular Properties

Compound Name5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide
PubChem CID12000778
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide
SMILESCNC(=O)NCCNC(=O)N1C=Cc2c(c(C)c3c([nH]c4ccccc43)c2C)C1
InChIInChI=1S/C22H25N5O2/c1-13-17-12-27(22(29)25-10-9-24-21(28)23-3)11-8-15(17)14(2)20-19(13)16-6-4-5-7-18(16)26-20/h4-8,11,26H,9-10,12H2,1-3H3,(H,25,29)(H2,23,24,28)
InChIKeyDCCSQRSGTMEYPE-UHFFFAOYSA-N
XLogP3.36
TPSA89.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
CID 134152658
5,11-dimethyl-2,6-dihydro-1H-pyrido[4,3-b]carbazole
CID 67781733
(3S)-3-amino-4-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-4-oxobutanoic acid;dihydrochloride
CID 67724928
methyl 11-methyl-2-[2-[2-(methylcarbamoylamino)ethoxy]ethyl]-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxylate
CID 134139601
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132
2-[1-(diethylamino)ethyl]-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-9-ol
CID 174620500
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
N-[2-(2-aminoethoxy)ethyl]-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide
CID 134149656
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
N-(3-aminopropyl)-2,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-5-carboxamide chloride
CID 134156652
5,11-dimethyl-6H-pyrido[4,3-b]carbazole-1-carboxamide;hydrochloride
CID 5351320
4-(3-hydroxy-1,2-dimethyl-9H-carbazol-4-yl)-1,2-dimethyl-9H-carbazol-3-ol
CID 14526486

Frequently Asked Questions

What is the IUPAC name of 5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide?
The IUPAC name of 5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide (CID 12000778) is 5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide.
What is the SMILES notation for 5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide?
The canonical SMILES for 5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide is CNC(=O)NCCNC(=O)N1C=Cc2c(c(C)c3c([nH]c4ccccc43)c2C)C1.
What is the InChIKey of 5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide?
The InChIKey is DCCSQRSGTMEYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-13-17-12-27(22(29)25-10-9-24-21(28)23-3)11-8-15(17)14(2)20-19(13)16-6-4-5-7-18(16)26-20/h4-8,11,26H,9-10,12H2,1-3H3,(H,25,29)(H2,23,24,28).
What are the key properties of 5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide?
5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.36, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11-dimethyl-N-[2-(methylcarbamoylamino)ethyl]-1,6-dihydropyrido[4,3-b]carbazole-2-carboxamide is sourced from PubChem (CID 12000778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).