N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide

C17H19N3O2S — CID 86860055

IUPACN-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide
SMILESCc1cccc(NC(=O)CCNC(=O)CSc2ccccc2)n1
InChIInChI=1S/C17H19N3O2S/c1-13-6-5-9-15(19-13)20-16(21)10-11-18-17(22)12-23-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyZBQCWBDIVOBUJZ-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.63
Rot. Bonds7

About N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide

N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide (PubChem CID 86860055) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide
PubChem CID86860055
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide
SMILESCc1cccc(NC(=O)CCNC(=O)CSc2ccccc2)n1
InChIInChI=1S/C17H19N3O2S/c1-13-6-5-9-15(19-13)20-16(21)10-11-18-17(22)12-23-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyZBQCWBDIVOBUJZ-UHFFFAOYSA-N
XLogP2.63
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 23804504
3-[[N'-methyl-N-(2-phenylsulfanylethyl)carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111372980
N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
CID 86861206
2-methyl-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]pyrazole-3-carboxamide
CID 91945754
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 110951922
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
N-(6-methyl-2-pyridinyl)-2-(2-phenylethylsulfanyl)acetamide
CID 25342928
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-phenylsulfanylacetamide
CID 56783474

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide (CID 86860055) is N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide is Cc1cccc(NC(=O)CCNC(=O)CSc2ccccc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide?
The InChIKey is ZBQCWBDIVOBUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-13-6-5-9-15(19-13)20-16(21)10-11-18-17(22)12-23-14-7-3-2-4-8-14/h2-9H,10-12H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide?
N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide has a molecular weight of 329.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-[(2-phenylsulfanylacetyl)amino]propanamide is sourced from PubChem (CID 86860055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).