N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide

C23H32N4O3S — CID 15523797

IUPACN-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(O)CN1CCN(c2ccccc2OC(C)C)CC1
InChIInChI=1S/C23H32N4O3S/c1-17(2)30-21-9-5-4-8-20(21)27-13-11-26(12-14-27)16-18(28)15-25-22(29)19-7-6-10-24-23(19)31-3/h4-10,17-18,28H,11-16H2,1-3H3,(H,25,29)
InChIKeyLZRLYDOKGYFERX-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.50
Rot. Bonds9

About N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 15523797) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID15523797
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC NameN-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCC(O)CN1CCN(c2ccccc2OC(C)C)CC1
InChIInChI=1S/C23H32N4O3S/c1-17(2)30-21-9-5-4-8-20(21)27-13-11-26(12-14-27)16-18(28)15-25-22(29)19-7-6-10-24-23(19)31-3/h4-10,17-18,28H,11-16H2,1-3H3,(H,25,29)
InChIKeyLZRLYDOKGYFERX-UHFFFAOYSA-N
XLogP2.50
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 44586100
N-[(2R)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenoxy)pyridine-3-carboxamide
CID 101064384
2-[3-(dimethylamino)anilino]-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586119
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-(4-methoxyphenoxy)pyridine-3-carboxamide
CID 44586183
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 44586135
N-(2,3-dihydroxypropyl)-2-methylsulfanylpyridine-3-carboxamide
CID 66175806
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
2-(3-fluorophenyl)-N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxoisoindole-5-carboxamide
CID 10507089
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 10792898
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-methylsulfanylpyridine-3-carboxamide
CID 32843065
1-azido-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propan-2-ol
CID 10781910

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide (CID 15523797) is N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCC(O)CN1CCN(c2ccccc2OC(C)C)CC1.
What is the InChIKey of N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is LZRLYDOKGYFERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-17(2)30-21-9-5-4-8-20(21)27-13-11-26(12-14-27)16-18(28)15-25-22(29)19-7-6-10-24-23(19)31-3/h4-10,17-18,28H,11-16H2,1-3H3,(H,25,29).
What are the key properties of N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 15523797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).