N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide

C20H22N4O2S — CID 55865734

IUPACN-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cn3c(=S)oc4ccccc43)CC2)nc1
InChIInChI=1S/C20H22N4O2S/c1-14-6-7-18(21-12-14)22-19(25)15-8-10-23(11-9-15)13-24-16-4-2-3-5-17(16)26-20(24)27/h2-7,12,15H,8-11,13H2,1H3,(H,21,22,25)
InChIKeyVKEWDIULCAZNRV-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.98
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide

N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 55865734) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
PubChem CID55865734
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(Cn3c(=S)oc4ccccc43)CC2)nc1
InChIInChI=1S/C20H22N4O2S/c1-14-6-7-18(21-12-14)22-19(25)15-8-10-23(11-9-15)13-24-16-4-2-3-5-17(16)26-20(24)27/h2-7,12,15H,8-11,13H2,1H3,(H,21,22,25)
InChIKeyVKEWDIULCAZNRV-UHFFFAOYSA-N
XLogP3.98
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55865731
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120898685
1-[(2-methyl-5-oxopyrrolidin-1-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56806493
1-[[4-(4-methylphenyl)-1-oxophthalazin-2-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55864204
N-(4-fluorophenyl)-2-[4-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 9330361
3-[(4-benzylpiperidin-1-yl)methyl]-1,3-benzoxazole-2-thione
CID 7911113
N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
CID 55813629
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
1-[(1S)-2-methyl-1-phenylpropyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 97006508
1-[2-(methoxymethyl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810115
N-(5-methyl-2-pyridinyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxamide
CID 120898687
1-[[3-(4-chlorophenyl)-4-methyl-2-oxoimidazol-1-yl]methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 56521996

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide (CID 55865734) is N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(Cn3c(=S)oc4ccccc43)CC2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
The InChIKey is VKEWDIULCAZNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-14-6-7-18(21-12-14)22-19(25)15-8-10-23(11-9-15)13-24-16-4-2-3-5-17(16)26-20(24)27/h2-7,12,15H,8-11,13H2,1H3,(H,21,22,25).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?
N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55865734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).