N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide

C15H20N4OS — CID 67502922

IUPACN-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide
SMILESCSC(C)CC(=O)N(C)n1cc(-c2cccnc2)nc1C
InChIInChI=1S/C15H20N4OS/c1-11(21-4)8-15(20)18(3)19-10-14(17-12(19)2)13-6-5-7-16-9-13/h5-7,9-11H,8H2,1-4H3
InChIKeyTXNFBIXJYCOIBE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide

N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide (PubChem CID 67502922) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide
PubChem CID67502922
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide
SMILESCSC(C)CC(=O)N(C)n1cc(-c2cccnc2)nc1C
InChIInChI=1S/C15H20N4OS/c1-11(21-4)8-15(20)18(3)19-10-14(17-12(19)2)13-6-5-7-16-9-13/h5-7,9-11H,8H2,1-4H3
InChIKeyTXNFBIXJYCOIBE-UHFFFAOYSA-N
XLogP2.49
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylbutanehydrazide
CID 118944679
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-methylsulfanylbutanamide
CID 69261053
[(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid
CID 174738677
(2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid
CID 67499797
(2R)-N-methyl-2-methylsulfanyl-N-pyridin-3-ylpropanamide
CID 124505183
N-benzyl-N-methyl-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 78764675
3-[1-(methylsulfanylmethyl)triazol-4-yl]pyridine
CID 132850274
S-(2-methylpropyl) N-ethyl-N-[methyl-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)carbamoyl]carbamothioate
CID 90307198
S-(2-methylpropyl) N-[(1-chloro-3-pyridin-3-ylpyrazol-5-yl)-methylcarbamoyl]-N-ethylcarbamothioate
CID 118945713
ethyl 2-methyl-6-pyridin-3-ylpyridine-3-carboxylate
CID 112561966
3-amino-N-methyl-N-(pyridin-3-ylmethyl)butanamide;dihydrochloride
CID 119958236
ethyl 1-propan-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
CID 163398875

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide?
The IUPAC name of N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide (CID 67502922) is N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide.
What is the SMILES notation for N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide?
The canonical SMILES for N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide is CSC(C)CC(=O)N(C)n1cc(-c2cccnc2)nc1C.
What is the InChIKey of N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide?
The InChIKey is TXNFBIXJYCOIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-11(21-4)8-15(20)18(3)19-10-14(17-12(19)2)13-6-5-7-16-9-13/h5-7,9-11H,8H2,1-4H3.
What are the key properties of N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide?
N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide has a molecular weight of 304.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide is sourced from PubChem (CID 67502922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).