N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide

C19H30N4O2S — CID 11280398

IUPACN-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCCCC(=O)N1CCN(c2ccc(C(=O)NCCSCC)cn2)CC1
InChIInChI=1S/C19H30N4O2S/c1-3-5-6-18(24)23-12-10-22(11-13-23)17-8-7-16(15-21-17)19(25)20-9-14-26-4-2/h7-8,15H,3-6,9-14H2,1-2H3,(H,20,25)
InChIKeyLLXNHHNMEZTJAK-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.40
Rot. Bonds9

About N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide

N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 11280398) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID11280398
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC NameN-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCCCC(=O)N1CCN(c2ccc(C(=O)NCCSCC)cn2)CC1
InChIInChI=1S/C19H30N4O2S/c1-3-5-6-18(24)23-12-10-22(11-13-23)17-8-7-16(15-21-17)19(25)20-9-14-26-4-2/h7-8,15H,3-6,9-14H2,1-2H3,(H,20,25)
InChIKeyLLXNHHNMEZTJAK-UHFFFAOYSA-N
XLogP2.40
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 11304265
N-(2-ethylsulfanylethyl)-6-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68739731
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770
N-pentyl-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68737275
N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68737746
1-[4-(5-amino-2-pyridinyl)piperazin-1-yl]hexan-1-one
CID 43461986
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 68738487
N-[6-(4-pentanoylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 42849956
1-(4-pyrazin-2-ylpiperazin-1-yl)pentan-1-one
CID 143717135
N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111444833
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide (CID 11280398) is N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide is CCCCC(=O)N1CCN(c2ccc(C(=O)NCCSCC)cn2)CC1.
What is the InChIKey of N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is LLXNHHNMEZTJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-3-5-6-18(24)23-12-10-22(11-13-23)17-8-7-16(15-21-17)19(25)20-9-14-26-4-2/h7-8,15H,3-6,9-14H2,1-2H3,(H,20,25).
What are the key properties of N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 378.54 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 11280398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).