5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide

C13H18N4O2S — CID 103110414

IUPAC5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C13H18N4O2S/c1-4-17(3)13(19)8(2)16-12(18)10-6-5-9(7-15-10)11(14)20/h5-8H,4H2,1-3H3,(H2,14,20)(H,16,18)
InChIKeyMMMAHCRIHQWHDF-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.31
Rot. Bonds5

About 5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide

5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide (PubChem CID 103110414) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
PubChem CID103110414
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C13H18N4O2S/c1-4-17(3)13(19)8(2)16-12(18)10-6-5-9(7-15-10)11(14)20/h5-8H,4H2,1-3H3,(H2,14,20)(H,16,18)
InChIKeyMMMAHCRIHQWHDF-UHFFFAOYSA-N
XLogP0.31
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-carbamothioyl-N-heptan-2-ylpyridine-2-carboxamide
CID 63750456
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CID 113472815
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 106345629
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
5-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106281493
5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide
CID 55230597
5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106329081
3-amino-4-chloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 103106417
2-[(4-carbamothioylphenyl)sulfonylamino]-N-ethyl-N-methylpropanamide
CID 103110433
5-carbamothioyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 63748667
5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 63748666
5-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63749552

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide (CID 103110414) is 5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide is CCN(C)C(=O)C(C)NC(=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide?
The InChIKey is MMMAHCRIHQWHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-17(3)13(19)8(2)16-12(18)10-6-5-9(7-15-10)11(14)20/h5-8H,4H2,1-3H3,(H2,14,20)(H,16,18).
What are the key properties of 5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide?
5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 103110414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).