N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide

C22H20N4O2 — CID 66834421

IUPACN-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
SMILESCC1(C)c2cc(C(=O)NCCN)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C22H20N4O2/c1-22(2)16-10-13(21(28)25-8-7-23)4-6-14(16)19(27)18-15-5-3-12(11-24)9-17(15)26-20(18)22/h3-6,9-10,26H,7-8,23H2,1-2H3,(H,25,28)
InChIKeyRLEFNUXODSYPSB-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.60
Rot. Bonds3

About N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide

N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide (PubChem CID 66834421) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
PubChem CID66834421
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
SMILESCC1(C)c2cc(C(=O)NCCN)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIInChI=1S/C22H20N4O2/c1-22(2)16-10-13(21(28)25-8-7-23)4-6-14(16)19(27)18-15-5-3-12(11-24)9-17(15)26-20(18)22/h3-6,9-10,26H,7-8,23H2,1-2H3,(H,25,28)
InChIKeyRLEFNUXODSYPSB-UHFFFAOYSA-N
XLogP2.60
TPSA111.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(1,3-dihydroxypropan-2-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 66834824
9-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3,8-dicarbonitrile
CID 135211199
N-[2-[(3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]ethyl]acetamide
CID 54586751
8-(2-methoxyethoxy)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834055
tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate
CID 67150090
8-[(2R)-2,3-dihydroxypropoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66833887
8-[(1-aminosulfanylpiperidin-4-yl)methyl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 135211180
6,6-dimethyl-11-oxo-8-piperazin-1-yl-5H-benzo[b]carbazole-3-carbonitrile
CID 54578542
8-[2-(butan-2-ylamino)ethoxy]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 66834283
6,6-dimethyl-11-oxo-9-propan-2-yloxy-5H-benzo[b]carbazole-3-carbonitrile
CID 66834393
3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid
CID 70193767
2-(3-cyano-8-methoxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-9-yl)propanoic acid
CID 142767141

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide (CID 66834421) is N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide is CC1(C)c2cc(C(=O)NCCN)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21.
What is the InChIKey of N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide?
The InChIKey is RLEFNUXODSYPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-22(2)16-10-13(21(28)25-8-7-23)4-6-14(16)19(27)18-15-5-3-12(11-24)9-17(15)26-20(18)22/h3-6,9-10,26H,7-8,23H2,1-2H3,(H,25,28).
What are the key properties of N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide?
N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-cyano-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide is sourced from PubChem (CID 66834421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).