N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene

C25H39N5O3S — CID 143077447

IUPACN-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene
SMILESCCCN(SC)c1cc(C(=O)NCCO)cc(NCCN2CCOCC2)n1.Cc1ccccc1
InChIInChI=1S/C18H31N5O3S.C7H8/c1-3-6-23(27-2)17-14-15(18(25)20-5-10-24)13-16(21-17)19-4-7-22-8-11-26-12-9-22;1-7-5-3-2-4-6-7/h13-14,24H,3-12H2,1-2H3,(H,19,21)(H,20,25);2-6H,1H3
InChIKeyKOYBDMSPQUCZOM-UHFFFAOYSA-N
MW489.69 g/mol
LogP3.04
Rot. Bonds11

About N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene

N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene (PubChem CID 143077447) has the molecular formula C25H39N5O3S and a molecular weight of 489.69 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene
PubChem CID143077447
Molecular FormulaC25H39N5O3S
Molecular Weight489.69 g/mol
Exact Mass489.28
IUPAC NameN-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene
SMILESCCCN(SC)c1cc(C(=O)NCCO)cc(NCCN2CCOCC2)n1.Cc1ccccc1
InChIInChI=1S/C18H31N5O3S.C7H8/c1-3-6-23(27-2)17-14-15(18(25)20-5-10-24)13-16(21-17)19-4-7-22-8-11-26-12-9-22;1-7-5-3-2-4-6-7/h13-14,24H,3-12H2,1-2H3,(H,19,21)(H,20,25);2-6H,1H3
InChIKeyKOYBDMSPQUCZOM-UHFFFAOYSA-N
XLogP3.04
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.69
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene 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-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene
CID 143077524
N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide
CID 143077534
N-[2-(dimethylamino)ethyl]-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853652
6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852227
2-methyl-N-(2-morpholin-4-ylethyl)-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109366468
N,N-diethyl-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853712
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-methylpropyl)-6-(2-morpholin-4-ylethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852426
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167907
2-(N-ethyl-3-methylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168022
N-ethyl-2-methyl-N-(3-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366440
N-[3-(dimethylamino)propyl]-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109153978

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene?
The IUPAC name of N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene (CID 143077447) is N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene?
The canonical SMILES for N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene is CCCN(SC)c1cc(C(=O)NCCO)cc(NCCN2CCOCC2)n1.Cc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene?
The InChIKey is KOYBDMSPQUCZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O3S.C7H8/c1-3-6-23(27-2)17-14-15(18(25)20-5-10-24)13-16(21-17)19-4-7-22-8-11-26-12-9-22;1-7-5-3-2-4-6-7/h13-14,24H,3-12H2,1-2H3,(H,19,21)(H,20,25);2-6H,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene?
N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene has a molecular weight of 489.69 g/mol, XLogP of 3.04, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene is sourced from PubChem (CID 143077447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).