N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide

C12H19N3OS — CID 91784355

IUPACN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCNc1ncccc1C
InChIInChI=1S/C12H19N3OS/c1-10-4-3-6-14-12(10)15-8-7-13-11(16)5-9-17-2/h3-4,6H,5,7-9H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBFDJTAXRFOHSAV-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.67
Rot. Bonds7

About N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide (PubChem CID 91784355) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide
PubChem CID91784355
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCCNc1ncccc1C
InChIInChI=1S/C12H19N3OS/c1-10-4-3-6-14-12(10)15-8-7-13-11(16)5-9-17-2/h3-4,6H,5,7-9H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBFDJTAXRFOHSAV-UHFFFAOYSA-N
XLogP1.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 131925742
4-[(1R,2S,5S)-3,7-diazabicyclo[3.3.1]nonan-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]butanamide
CID 157015836
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155503661
2-[(3-methyl-2-pyridinyl)amino]acetic acid
CID 83826873
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56910669
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
2-[1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 56901393
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
(2S)-2-amino-N-(3-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 61148284
N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
CID 107844649
2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide
CID 70718889
2-[(2R)-1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 95722212

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide (CID 91784355) is N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCCNc1ncccc1C.
What is the InChIKey of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide?
The InChIKey is BFDJTAXRFOHSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-10-4-3-6-14-12(10)15-8-7-13-11(16)5-9-17-2/h3-4,6H,5,7-9H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide?
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide has a molecular weight of 253.37 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 91784355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).