ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate

C24H22N4O2 — CID 56931580

IUPACethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate
SMILESCCOC(=O)c1c(N)nc2c(c1-c1cccnc1)CCc1c-2[nH]c2ccc(C)cc12
InChIInChI=1S/C24H22N4O2/c1-3-30-24(29)20-19(14-5-4-10-26-12-14)16-8-7-15-17-11-13(2)6-9-18(17)27-21(15)22(16)28-23(20)25/h4-6,9-12,27H,3,7-8H2,1-2H3,(H2,25,28)
InChIKeyZDPCDOMEDVBWIS-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.46
Rot. Bonds3

About ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate

ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate (PubChem CID 56931580) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate
PubChem CID56931580
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Nameethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate
SMILESCCOC(=O)c1c(N)nc2c(c1-c1cccnc1)CCc1c-2[nH]c2ccc(C)cc12
InChIInChI=1S/C24H22N4O2/c1-3-30-24(29)20-19(14-5-4-10-26-12-14)16-8-7-15-17-11-13(2)6-9-18(17)27-21(15)22(16)28-23(20)25/h4-6,9-12,27H,3,7-8H2,1-2H3,(H2,25,28)
InChIKeyZDPCDOMEDVBWIS-UHFFFAOYSA-N
XLogP4.46
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate?
The IUPAC name of ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate (CID 56931580) is ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate is CCOC(=O)c1c(N)nc2c(c1-c1cccnc1)CCc1c-2[nH]c2ccc(C)cc12.
What is the InChIKey of ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate?
The InChIKey is ZDPCDOMEDVBWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-3-30-24(29)20-19(14-5-4-10-26-12-14)16-8-7-15-17-11-13(2)6-9-18(17)27-21(15)22(16)28-23(20)25/h4-6,9-12,27H,3,7-8H2,1-2H3,(H2,25,28).
What are the key properties of ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate?
ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate has a molecular weight of 398.47 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-8-methyl-4-pyridin-3-yl-6,11-dihydro-5H-pyrido[2,3-a]carbazole-3-carboxylate is sourced from PubChem (CID 56931580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).