N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene

C26H43N5O3S — CID 143077524

IUPACN-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene
SMILESCCCNc1cc(C(=O)NCCO)cc(NCCN2CCCCC2)n1.CSO.Cc1ccccc1
InChIInChI=1S/C18H31N5O2.C7H8.CH4OS/c1-2-6-19-16-13-15(18(25)21-8-12-24)14-17(22-16)20-7-11-23-9-4-3-5-10-23;1-7-5-3-2-4-6-7;1-3-2/h13-14,24H,2-12H2,1H3,(H,21,25)(H2,19,20,22);2-6H,1H3;2H,1H3
InChIKeyAUOWJYWLSVSTNP-UHFFFAOYSA-N
MW505.73 g/mol
LogP4.34
Rot. Bonds10

About N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene

N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene (PubChem CID 143077524) has the molecular formula C26H43N5O3S and a molecular weight of 505.73 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene
PubChem CID143077524
Molecular FormulaC26H43N5O3S
Molecular Weight505.73 g/mol
Exact Mass505.31
IUPAC NameN-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene
SMILESCCCNc1cc(C(=O)NCCO)cc(NCCN2CCCCC2)n1.CSO.Cc1ccccc1
InChIInChI=1S/C18H31N5O2.C7H8.CH4OS/c1-2-6-19-16-13-15(18(25)21-8-12-24)14-17(22-16)20-7-11-23-9-4-3-5-10-23;1-7-5-3-2-4-6-7;1-3-2/h13-14,24H,2-12H2,1H3,(H,21,25)(H2,19,20,22);2-6H,1H3;2H,1H3
InChIKeyAUOWJYWLSVSTNP-UHFFFAOYSA-N
XLogP4.34
TPSA109.75 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.73
LogP ≤ 54.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide
CID 143077534
N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene
CID 143077447
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
CID 62175413
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
3-benzamido-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 55723788
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 142245309
6-(butylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852227
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene?
The IUPAC name of N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene (CID 143077524) is N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene?
The canonical SMILES for N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene is CCCNc1cc(C(=O)NCCO)cc(NCCN2CCCCC2)n1.CSO.Cc1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene?
The InChIKey is AUOWJYWLSVSTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2.C7H8.CH4OS/c1-2-6-19-16-13-15(18(25)21-8-12-24)14-17(22-16)20-7-11-23-9-4-3-5-10-23;1-7-5-3-2-4-6-7;1-3-2/h13-14,24H,2-12H2,1H3,(H,21,25)(H2,19,20,22);2-6H,1H3;2H,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene?
N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene has a molecular weight of 505.73 g/mol, XLogP of 4.34, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(2-piperidin-1-ylethylamino)-6-(propylamino)pyridine-4-carboxamide;hydroxysulfanylmethane;toluene is sourced from PubChem (CID 143077524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).