1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine

C19H21N4O6S- — CID 129042781

IUPAC1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccc(NS(=O)[O-])cc3OC)CC2)ccn1
InChIInChI=1S/C19H22N4O6S/c1-28-16-12-14(21-30(26)27)3-4-15(16)19(25)23-9-7-22(8-10-23)18(24)13-5-6-20-17(11-13)29-2/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)/p-1
InChIKeyLSJQWTBGVAUELA-UHFFFAOYSA-M
MW433.47 g/mol
LogP0.90
Rot. Bonds6

About 1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine

1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine (PubChem CID 129042781) has the molecular formula C19H21N4O6S- and a molecular weight of 433.47 g/mol. Its IUPAC name is 1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine
PubChem CID129042781
Molecular FormulaC19H21N4O6S-
Molecular Weight433.47 g/mol
Exact Mass433.12
IUPAC Name1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine
SMILESCOc1cc(C(=O)N2CCN(C(=O)c3ccc(NS(=O)[O-])cc3OC)CC2)ccn1
InChIInChI=1S/C19H22N4O6S/c1-28-16-12-14(21-30(26)27)3-4-15(16)19(25)23-9-7-22(8-10-23)18(24)13-5-6-20-17(11-13)29-2/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)/p-1
InChIKeyLSJQWTBGVAUELA-UHFFFAOYSA-M
XLogP0.90
TPSA124.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine-1-carbonyl]pyrazine
CID 129043024
1-[2-methoxy-4-(sulfinatoamino)benzoyl]-4-[2-(trifluoromethyl)pyridine-3-carbonyl]piperazine
CID 129043053
1-[2-methoxy-4-(sulfinatoamino)benzoyl]-4-(6-methylpyridine-2-carbonyl)piperazine
CID 129042569
1-(3,4-difluorobenzoyl)-4-[2-methoxy-4-(sulfinoamino)benzoyl]piperazine
CID 129042584
(2-methoxy-4-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 110849835
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
1-[3-methoxy-4-(sulfinatoamino)benzoyl]-4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine
CID 129043062
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 122335043
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431
[4-(6-aminopyridine-3-carbonyl)-1,4-diazepan-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 134700221

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine?
The IUPAC name of 1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine (CID 129042781) is 1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine.
What is the SMILES notation for 1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine?
The canonical SMILES for 1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine is COc1cc(C(=O)N2CCN(C(=O)c3ccc(NS(=O)[O-])cc3OC)CC2)ccn1.
What is the InChIKey of 1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine?
The InChIKey is LSJQWTBGVAUELA-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H22N4O6S/c1-28-16-12-14(21-30(26)27)3-4-15(16)19(25)23-9-7-22(8-10-23)18(24)13-5-6-20-17(11-13)29-2/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)/p-1.
What are the key properties of 1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine?
1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine has a molecular weight of 433.47 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyridine-4-carbonyl)-4-[2-methoxy-4-(sulfinatoamino)benzoyl]piperazine is sourced from PubChem (CID 129042781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).