3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide

C16H19N3S — CID 64536514

IUPAC3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide
SMILESCN(Cc1ccccn1)CC(C(N)=S)c1ccccc1
InChIInChI=1S/C16H19N3S/c1-19(11-14-9-5-6-10-18-14)12-15(16(17)20)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H2,17,20)
InChIKeyHMNUYSFHFXRMRG-UHFFFAOYSA-N
MW285.42 g/mol
LogP2.58
Rot. Bonds6

About 3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide

3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide (PubChem CID 64536514) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide.

Molecular Properties

Compound Name3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide
PubChem CID64536514
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide
SMILESCN(Cc1ccccn1)CC(C(N)=S)c1ccccc1
InChIInChI=1S/C16H19N3S/c1-19(11-14-9-5-6-10-18-14)12-15(16(17)20)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H2,17,20)
InChIKeyHMNUYSFHFXRMRG-UHFFFAOYSA-N
XLogP2.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanethioamide
CID 64537730
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpropanethioamide
CID 64535725
4-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 43565021
3-[methyl(propan-2-yl)amino]-2-phenylpropanethioamide
CID 64535916
3-(N-methylanilino)-2-phenylpropanethioamide
CID 64538135
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
1-chloro-3-[methyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 112561273
methyl 2-methyl-3-[methyl(pyridin-2-ylmethyl)amino]propanoate
CID 43565155
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
3-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 60914342
1-(methylamino)-3-[methyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 43564841

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide?
The IUPAC name of 3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide (CID 64536514) is 3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide.
What is the SMILES notation for 3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide?
The canonical SMILES for 3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide is CN(Cc1ccccn1)CC(C(N)=S)c1ccccc1.
What is the InChIKey of 3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide?
The InChIKey is HMNUYSFHFXRMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-19(11-14-9-5-6-10-18-14)12-15(16(17)20)13-7-3-2-4-8-13/h2-10,15H,11-12H2,1H3,(H2,17,20).
What are the key properties of 3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide?
3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide has a molecular weight of 285.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridin-2-ylmethyl)amino]-2-phenylpropanethioamide is sourced from PubChem (CID 64536514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).