6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide

C13H21N3OS — CID 113351620

IUPAC6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide
SMILESCCSCC(C)Nc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3OS/c1-5-18-9-10(2)15-12-7-6-11(8-14-12)13(17)16(3)4/h6-8,10H,5,9H2,1-4H3,(H,14,15)
InChIKeyKSJLVBCXNFGQJQ-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.34
Rot. Bonds6

About 6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide

6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 113351620) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide
PubChem CID113351620
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide
SMILESCCSCC(C)Nc1ccc(C(=O)N(C)C)cn1
InChIInChI=1S/C13H21N3OS/c1-5-18-9-10(2)15-12-7-6-11(8-14-12)13(17)16(3)4/h6-8,10H,5,9H2,1-4H3,(H,14,15)
InChIKeyKSJLVBCXNFGQJQ-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
CID 78956363
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909
6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide
CID 133311932
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 78956162
6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 114161515
6-(1-ethylsulfanylpropan-2-ylamino)pyridine-3-carbonitrile
CID 115659032
2-[[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
CID 115430029
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 78958778
6-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-3-carboxamide
CID 115623811
6-[(1-ethylcyclopropyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103736737

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide (CID 113351620) is 6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide is CCSCC(C)Nc1ccc(C(=O)N(C)C)cn1.
What is the InChIKey of 6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is KSJLVBCXNFGQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-5-18-9-10(2)15-12-7-6-11(8-14-12)13(17)16(3)4/h6-8,10H,5,9H2,1-4H3,(H,14,15).
What are the key properties of 6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide?
6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 113351620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).