4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

C19H24N4OS — CID 72868148

IUPAC4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCN(Cc3ncccc3C)CC2)cc1
InChIInChI=1S/C19H24N4OS/c1-15-4-3-9-20-18(15)14-22-10-12-23(13-11-22)19(24)21-16-5-7-17(25-2)8-6-16/h3-9H,10-14H2,1-2H3,(H,21,24)
InChIKeyWXLZVRJKSOOLRD-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.46
Rot. Bonds4

About 4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide (PubChem CID 72868148) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide
PubChem CID72868148
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide
SMILESCSc1ccc(NC(=O)N2CCN(Cc3ncccc3C)CC2)cc1
InChIInChI=1S/C19H24N4OS/c1-15-4-3-9-20-18(15)14-22-10-12-23(13-11-22)19(24)21-16-5-7-17(25-2)8-6-16/h3-9H,10-14H2,1-2H3,(H,21,24)
InChIKeyWXLZVRJKSOOLRD-UHFFFAOYSA-N
XLogP3.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methyl-2-pyridinyl)methyl]-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]piperazine-1-carboxamide
CID 126446129
cyclopropyl-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methanone
CID 171326322
N-(2H-benzotriazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
CID 118793204
N-(2,1,3-benzothiadiazol-4-yl)-4-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboxamide
CID 72933011
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
4-(2-methylphenyl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 23071923
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
N-(4-acetylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184526
N-cyclopentyl-4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-4-oxobutanamide
CID 46989818
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70731899
4-[(3-methyl-2-pyridinyl)methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperazine-1-carboxamide
CID 121496771
[4-anilino-1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155873458

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide (CID 72868148) is 4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide is CSc1ccc(NC(=O)N2CCN(Cc3ncccc3C)CC2)cc1.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide?
The InChIKey is WXLZVRJKSOOLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-15-4-3-9-20-18(15)14-22-10-12-23(13-11-22)19(24)21-16-5-7-17(25-2)8-6-16/h3-9H,10-14H2,1-2H3,(H,21,24).
What are the key properties of 4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide?
4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide has a molecular weight of 356.50 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-pyridinyl)methyl]-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 72868148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).