N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide

C20H24N4O2S — CID 59114365

IUPACN-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide
SMILESCCN(CC)CCNc1ccc(CNC=O)c2sc3ncccc3c(=O)c12
InChIInChI=1S/C20H24N4O2S/c1-3-24(4-2)11-10-22-16-8-7-14(12-21-13-25)19-17(16)18(26)15-6-5-9-23-20(15)27-19/h5-9,13,22H,3-4,10-12H2,1-2H3,(H,21,25)
InChIKeyLMPPBVQHGMWFTK-UHFFFAOYSA-N
MW384.51 g/mol
LogP2.81
Rot. Bonds9

About N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide

N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide (PubChem CID 59114365) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide
PubChem CID59114365
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC NameN-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide
SMILESCCN(CC)CCNc1ccc(CNC=O)c2sc3ncccc3c(=O)c12
InChIInChI=1S/C20H24N4O2S/c1-3-24(4-2)11-10-22-16-8-7-14(12-21-13-25)19-17(16)18(26)15-6-5-9-23-20(15)27-19/h5-9,13,22H,3-4,10-12H2,1-2H3,(H,21,25)
InChIKeyLMPPBVQHGMWFTK-UHFFFAOYSA-N
XLogP2.81
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-c]pyridin-9-yl]methyl]methanesulfonamide
CID 59114371
6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one
CID 59114351
N-[[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl](113C)methyl]methane(15N)sulfonamide
CID 10342947
6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-c]pyridin-10-one;ethane
CID 142807817
1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one chloride
CID 5351142
N-[[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]-2-methoxybenzenesulfonamide
CID 22915332
[benzenesulfonyl-[2-[1-[2-(diethylamino)ethylamino]-9-oxothioxanthen-4-yl]ethyl]amino] methanesulfonate
CID 56988541
N-[[1-[2-(diethylamino)ethylamino]-7-methoxy-9-oxothioxanthen-2-yl]methyl]formamide
CID 87937227
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
N-[[1-[2-(dimethylamino)ethylamino]-9-oxothioxanthen-4-yl]methyl]-N-methylformamide
CID 22915330
N',N'-diethyl-N-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)butane-1,4-diamine
CID 110432281

Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide?
The IUPAC name of N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide (CID 59114365) is N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide.
What is the SMILES notation for N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide?
The canonical SMILES for N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide is CCN(CC)CCNc1ccc(CNC=O)c2sc3ncccc3c(=O)c12.
What is the InChIKey of N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide?
The InChIKey is LMPPBVQHGMWFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-3-24(4-2)11-10-22-16-8-7-14(12-21-13-25)19-17(16)18(26)15-6-5-9-23-20(15)27-19/h5-9,13,22H,3-4,10-12H2,1-2H3,(H,21,25).
What are the key properties of N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide?
N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide has a molecular weight of 384.51 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide is sourced from PubChem (CID 59114365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).