N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide

C16H18N4O2S — CID 75478662

IUPACN-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)NC2CCCc3sccc32)n1
InChIInChI=1S/C16H18N4O2S/c1-17-15(21)12-5-3-7-14(18-12)20-16(22)19-11-4-2-6-13-10(11)8-9-23-13/h3,5,7-9,11H,2,4,6H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyUNHPFTBLBLWGEA-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.70
Rot. Bonds3

About N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide

N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide (PubChem CID 75478662) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide
PubChem CID75478662
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC NameN-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)NC2CCCc3sccc32)n1
InChIInChI=1S/C16H18N4O2S/c1-17-15(21)12-5-3-7-14(18-12)20-16(22)19-11-4-2-6-13-10(11)8-9-23-13/h3,5,7-9,11H,2,4,6H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyUNHPFTBLBLWGEA-UHFFFAOYSA-N
XLogP2.70
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-[[(4R)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]carbamoylamino]pyridine-2-carboxamide
CID 97309425
N-methyl-4-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)methyl]benzamide
CID 86795207
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
2-hydroxy-3-methoxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844241
2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-carboxamide
CID 62844798
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 55126711
2-amino-6-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62842162
6-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridazine-3-carboxamide
CID 62845505
2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 62844385
3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)butanoic acid
CID 62842841
6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide
CID 104856721
N-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]but-2-ynamide
CID 125142184

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide (CID 75478662) is N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide is CNC(=O)c1cccc(NC(=O)NC2CCCc3sccc32)n1.
What is the InChIKey of N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide?
The InChIKey is UNHPFTBLBLWGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-17-15(21)12-5-3-7-14(18-12)20-16(22)19-11-4-2-6-13-10(11)8-9-23-13/h3,5,7-9,11H,2,4,6H2,1H3,(H,17,21)(H2,18,19,20,22).
What are the key properties of N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide?
N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)pyridine-2-carboxamide is sourced from PubChem (CID 75478662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).