2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide

C12H19N3OS — CID 113499345

IUPAC2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide
SMILESCCSCC(C)NC(=O)c1cc(C)nc(N)c1
InChIInChI=1S/C12H19N3OS/c1-4-17-7-9(3)15-12(16)10-5-8(2)14-11(13)6-10/h5-6,9H,4,7H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyRGEPIGIEZWBEFF-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.84
Rot. Bonds5

About 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide

2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide (PubChem CID 113499345) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide
PubChem CID113499345
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide
SMILESCCSCC(C)NC(=O)c1cc(C)nc(N)c1
InChIInChI=1S/C12H19N3OS/c1-4-17-7-9(3)15-12(16)10-5-8(2)14-11(13)6-10/h5-6,9H,4,7H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyRGEPIGIEZWBEFF-UHFFFAOYSA-N
XLogP1.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Diethyl-2-(4-hydroxy-5,7-dimethyl-pyrido[2,3-d]pyrimidin-2-ylsulfanyl)-acetamide
CID 135463056
2-Amino-N,N,6-trimethyl-4-Pyridinecarboxamide
CID 56966857
2-methyl-N-(2-sulfanylethyl)-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxamide
CID 177679550
2-amino-6-fluoro-N-(2-methylcyclohexyl)pyridine-4-carboxamide
CID 59355742
2-amino-N-[(1S)-1-cyclohexylethyl]-6-fluoropyridine-4-carboxamide
CID 59355746
2-acetamido-6-methyl-N-[1-[3-(trifluoromethylsulfanyl)phenyl]ethyl]pyridine-4-carboxamide
CID 67508936
N-[(3E)-4-amino-6-fluoro-3-(2-methylprop-2-enylidene)heptan-2-yl]-2-[(2-cyclopropylacetyl)amino]-6-methylpyridine-4-carboxamide
CID 124095853
2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide
CID 143746537
2-amino-6-fluoro-N-(2-propylpentyl)pyridine-4-carboxamide
CID 143746551
4,6-Dimethyl-2-methylaminonicotinic acid ethylamide
CID 78067021
2-(3-Methylsulfanylpropylamino)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869015
2-[(2-Methyl-3-methylsulfanylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79869080

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide (CID 113499345) is 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide is CCSCC(C)NC(=O)c1cc(C)nc(N)c1.
What is the InChIKey of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide?
The InChIKey is RGEPIGIEZWBEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-17-7-9(3)15-12(16)10-5-8(2)14-11(13)6-10/h5-6,9H,4,7H2,1-3H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide?
2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-ethylsulfanylpropan-2-yl)-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 113499345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).