(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C15H18N4O2S — CID 124616346

IUPAC(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)Nc1nccn(C)c1=O
InChIInChI=1S/C15H18N4O2S/c1-3-11-10-5-9-22-12(10)4-7-19(11)15(21)17-13-14(20)18(2)8-6-16-13/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,16,17,21)/t11-/m1/s1
InChIKeyWCRDOXXVLQPEMP-LLVKDONJSA-N
MW318.40 g/mol
LogP2.38
Rot. Bonds2

About (4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 124616346) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID124616346
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)Nc1nccn(C)c1=O
InChIInChI=1S/C15H18N4O2S/c1-3-11-10-5-9-22-12(10)4-7-19(11)15(21)17-13-14(20)18(2)8-6-16-13/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,16,17,21)/t11-/m1/s1
InChIKeyWCRDOXXVLQPEMP-LLVKDONJSA-N
XLogP2.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 24504496
(4S)-4-ethyl-N-[(3S)-2-oxoazepan-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94058436
4-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47760186
(4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94121250
N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 71898973
(4R)-N-(1,3-benzothiazol-2-yl)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 38280106
4-ethyl-N-(4-propylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 112824907
4-ethyl-N-(3-pyrrol-1-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 56583833
4-ethyl-N-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 127930065
4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 53498622
4-ethyl-N-[2-(2-methoxyethoxy)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47493448
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 56566617

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of (4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 124616346) is (4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for (4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for (4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC[C@@H]1c2ccsc2CCN1C(=O)Nc1nccn(C)c1=O.
What is the InChIKey of (4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is WCRDOXXVLQPEMP-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-11-10-5-9-22-12(10)4-7-19(11)15(21)17-13-14(20)18(2)8-6-16-13/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,16,17,21)/t11-/m1/s1.
What are the key properties of (4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 124616346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).