5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide

C17H27N3O2S — CID 3408349

IUPAC5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCCCCC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)NC2(C)C
InChIInChI=1S/C17H27N3O2S/c1-6-7-8-11(21)19-15-12(14(18)22)10-9-16(2,3)20-17(4,5)13(10)23-15/h20H,6-9H2,1-5H3,(H2,18,22)(H,19,21)
InChIKeyMJADTXOSSXPHFF-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.14
Rot. Bonds5

About 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide

5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 3408349) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID3408349
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCCCCC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)NC2(C)C
InChIInChI=1S/C17H27N3O2S/c1-6-7-8-11(21)19-15-12(14(18)22)10-9-16(2,3)20-17(4,5)13(10)23-15/h20H,6-9H2,1-5H3,(H2,18,22)(H,19,21)
InChIKeyMJADTXOSSXPHFF-UHFFFAOYSA-N
XLogP3.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4650412
methyl 2-(butanoylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4601215
methyl 4-[(3-carbamoyl-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)carbamoyl]benzoate
CID 3663157
ethyl 5,5,7,7-tetramethyl-2-(3-phenoxypropanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4298798
ethyl 2-(ethylcarbamoylamino)-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 17422408
methyl 2-[(4-butoxybenzoyl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 4060868
5,5,7,7-tetramethyl-2-[[(E)-3-(5-nitrothiophen-2-yl)prop-2-enoyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
CID 6088126
ethyl 5,5,7,7-tetramethyl-2-[[2-(2-methylphenoxy)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 43952488
2-[[4-(cyclohexylmethylsulfamoyl)benzoyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
CID 66981165
2-(undecanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3568140
ethyl 5,5,7,7-tetramethyl-2-[[2-(3-methylphenoxy)acetyl]amino]-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 43952490
ethyl 2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 16619272

Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide (CID 3408349) is 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide is CCCCC(=O)Nc1sc2c(c1C(N)=O)CC(C)(C)NC2(C)C.
What is the InChIKey of 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is MJADTXOSSXPHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-6-7-8-11(21)19-15-12(14(18)22)10-9-16(2,3)20-17(4,5)13(10)23-15/h20H,6-9H2,1-5H3,(H2,18,22)(H,19,21).
What are the key properties of 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 337.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3408349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).