carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine

C24H28N4O2S — CID 157140363

IUPACcarbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine
SMILESCc1ccc2c(c1)Cc1cc(Cc3ccsc3)nc(NCCN(C)CCN)c1-2.O=C=O
InChIInChI=1S/C23H28N4S.CO2/c1-16-3-4-21-18(11-16)13-19-14-20(12-17-5-10-28-15-17)26-23(22(19)21)25-7-9-27(2)8-6-24;2-1-3/h3-5,10-11,14-15H,6-9,12-13,24H2,1-2H3,(H,25,26);
InChIKeyAKCUSSIBXSAXEO-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.33
Rot. Bonds8

About carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine

carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine (PubChem CID 157140363) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound Namecarbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine
PubChem CID157140363
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Namecarbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine
SMILESCc1ccc2c(c1)Cc1cc(Cc3ccsc3)nc(NCCN(C)CCN)c1-2.O=C=O
InChIInChI=1S/C23H28N4S.CO2/c1-16-3-4-21-18(11-16)13-19-14-20(12-17-5-10-28-15-17)26-23(22(19)21)25-7-9-27(2)8-6-24;2-1-3/h3-5,10-11,14-15H,6-9,12-13,24H2,1-2H3,(H,25,26);
InChIKeyAKCUSSIBXSAXEO-UHFFFAOYSA-N
XLogP3.33
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine?
The IUPAC name of carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine (CID 157140363) is carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine is Cc1ccc2c(c1)Cc1cc(Cc3ccsc3)nc(NCCN(C)CCN)c1-2.O=C=O.
What is the InChIKey of carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine?
The InChIKey is AKCUSSIBXSAXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4S.CO2/c1-16-3-4-21-18(11-16)13-19-14-20(12-17-5-10-28-15-17)26-23(22(19)21)25-7-9-27(2)8-6-24;2-1-3/h3-5,10-11,14-15H,6-9,12-13,24H2,1-2H3,(H,25,26);.
What are the key properties of carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine?
carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine has a molecular weight of 436.58 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 157140363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).