N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane

C24H38N4S — CID 142807852

IUPACN-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane
SMILESC=C1c2cccnc2Sc2c(CN)ccc(NCCN(CC)CC)c21.CC.CC
InChIInChI=1S/C20H26N4S.2C2H6/c1-4-24(5-2)12-11-22-17-9-8-15(13-21)19-18(17)14(3)16-7-6-10-23-20(16)25-19;2*1-2/h6-10,22H,3-5,11-13,21H2,1-2H3;2*1-2H3
InChIKeyNCXZCRBKBYVTDK-UHFFFAOYSA-N
MW414.66 g/mol
LogP5.87
Rot. Bonds7

About N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane

N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane (PubChem CID 142807852) has the molecular formula C24H38N4S and a molecular weight of 414.66 g/mol. Its IUPAC name is N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane.

Molecular Properties

Compound NameN-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane
PubChem CID142807852
Molecular FormulaC24H38N4S
Molecular Weight414.66 g/mol
Exact Mass414.28
IUPAC NameN-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane
SMILESC=C1c2cccnc2Sc2c(CN)ccc(NCCN(CC)CC)c21.CC.CC
InChIInChI=1S/C20H26N4S.2C2H6/c1-4-24(5-2)12-11-22-17-9-8-15(13-21)19-18(17)14(3)16-7-6-10-23-20(16)25-19;2*1-2/h6-10,22H,3-5,11-13,21H2,1-2H3;2*1-2H3
InChIKeyNCXZCRBKBYVTDK-UHFFFAOYSA-N
XLogP5.87
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.66
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(aminomethyl)-9H-thioxanthen-1-yl]-N',N'-diethylethane-1,2-diamine
CID 150125575
6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-b]pyridin-10-one
CID 59114351
5-N-[2-(diethylamino)ethyl]quinoline-5,8-diamine
CID 43449423
2-N-[2-(diethylamino)ethyl]pyridine-2,3-diamine
CID 28818395
N-[2-(2-aminophenyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 12714490
N-[[6-[2-(diethylamino)ethylamino]-5-oxothiochromeno[2,3-b]pyridin-9-yl]methyl]formamide
CID 59114365
N',N'-diethyl-N-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62253337
4-N-[2-(diethylamino)ethyl]quinoline-4,8-diamine
CID 83057902
6-(aminomethyl)-9-[2-(diethylamino)ethylamino]thiochromeno[3,2-c]pyridin-10-one;ethane
CID 142807817
N'-[14-(2-aminoethyl)-8-thia-6,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]-N-methylethane-1,2-diamine
CID 21220779
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-N',N'-diethylethane-1,2-diamine
CID 84761941

Frequently Asked Questions

What is the IUPAC name of N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane?
The IUPAC name of N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane (CID 142807852) is N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane.
What is the SMILES notation for N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane?
The canonical SMILES for N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane is C=C1c2cccnc2Sc2c(CN)ccc(NCCN(CC)CC)c21.CC.CC.
What is the InChIKey of N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane?
The InChIKey is NCXZCRBKBYVTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S.2C2H6/c1-4-24(5-2)12-11-22-17-9-8-15(13-21)19-18(17)14(3)16-7-6-10-23-20(16)25-19;2*1-2/h6-10,22H,3-5,11-13,21H2,1-2H3;2*1-2H3.
What are the key properties of N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane?
N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane has a molecular weight of 414.66 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(aminomethyl)-5-methylidenethiochromeno[2,3-b]pyridin-6-yl]-N',N'-diethylethane-1,2-diamine;ethane is sourced from PubChem (CID 142807852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).