N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C20H26N4O2S — CID 118781091

IUPACN-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(CN2CCc3c(C(=O)N(C)C(C)C(N)=O)csc3C2)nc1
InChIInChI=1S/C20H26N4O2S/c1-4-14-5-6-15(22-9-14)10-24-8-7-16-17(12-27-18(16)11-24)20(26)23(3)13(2)19(21)25/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H2,21,25)
InChIKeyDNVJAJFEGHMEHU-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.21
Rot. Bonds6

About N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118781091) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118781091
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCCc1ccc(CN2CCc3c(C(=O)N(C)C(C)C(N)=O)csc3C2)nc1
InChIInChI=1S/C20H26N4O2S/c1-4-14-5-6-15(22-9-14)10-24-8-7-16-17(12-27-18(16)11-24)20(26)23(3)13(2)19(21)25/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H2,21,25)
InChIKeyDNVJAJFEGHMEHU-UHFFFAOYSA-N
XLogP2.21
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
N-[1-[(3-fluoroanilino)carbonyl]-2-(3-pyridinyl)vinyl]-2-thiophenecarboxamide
CID 5370237
N,N-diethyl-5-methyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 2101786
N,N,5-trimethyl-4-oxo-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 2458771
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]thieno[3,2-c]pyridine-6-carboxamide
CID 9841797
5-Pyridin-2-yl-1-pyridin-3-yl-3-thiophen-3-ylpyridin-2-one
CID 9945439
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]thieno[2,3-c]pyridine-5-carboxamide
CID 11508767
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-thiophen-2-yl-methanone
CID 25265257
(3-Chlorothiophen-2-yl)(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42605991
(3-Bromothiophen-2-yl)(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42605993

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118781091) is N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCc1ccc(CN2CCc3c(C(=O)N(C)C(C)C(N)=O)csc3C2)nc1.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is DNVJAJFEGHMEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-4-14-5-6-15(22-9-14)10-24-8-7-16-17(12-27-18(16)11-24)20(26)23(3)13(2)19(21)25/h5-6,9,12-13H,4,7-8,10-11H2,1-3H3,(H2,21,25).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118781091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).