pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C25H24N4O4S — CID 11857359

IUPACpyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OCc1ccncc1)C2
InChIInChI=1S/C25H24N4O4S/c1-32-21-5-3-2-4-18(21)6-7-23(30)28-24-20(14-26)19-10-13-29(15-22(19)34-24)25(31)33-16-17-8-11-27-12-9-17/h2-5,8-9,11-12H,6-7,10,13,15-16H2,1H3,(H,28,30)
InChIKeyLSCHHKKYEGUKPH-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.29
Rot. Bonds7

About pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 11857359) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namepyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID11857359
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Namepyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OCc1ccncc1)C2
InChIInChI=1S/C25H24N4O4S/c1-32-21-5-3-2-4-18(21)6-7-23(30)28-24-20(14-26)19-10-13-29(15-22(19)34-24)25(31)33-16-17-8-11-27-12-9-17/h2-5,8-9,11-12H,6-7,10,13,15-16H2,1H3,(H,28,30)
InChIKeyLSCHHKKYEGUKPH-UHFFFAOYSA-N
XLogP4.29
TPSA104.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-2-yl)acetamide
CID 60097396
2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide
CID 60097605
N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]acetamide
CID 24830881
3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxamide
CID 68431752
2-(3-fluoro-4-methoxyphenyl)-1-[2-(pyridin-4-ylmethoxymethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 131691826
N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 9907828
N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(4-methoxyphenyl)acetamide
CID 10337885
N-(3-cyano-5-pyridin-4-ylthiophen-2-yl)-2-(3-methoxyphenyl)acetamide
CID 10405532
pyridin-4-ylmethyl 3-cyano-2-(3-pyridin-3-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 11503569
pyridin-3-ylmethyl 3-cyano-2-(3-pyridin-3-ylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 11503570
pyridin-3-ylmethyl 3-cyano-2-(3-pyridin-3-ylpropanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 11525162
pyridin-3-ylmethyl 2-benzamido-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 11538976

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 11857359) is pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is COc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCN(C(=O)OCc1ccncc1)C2.
What is the InChIKey of pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is LSCHHKKYEGUKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-32-21-5-3-2-4-18(21)6-7-23(30)28-24-20(14-26)19-10-13-29(15-22(19)34-24)25(31)33-16-17-8-11-27-12-9-17/h2-5,8-9,11-12H,6-7,10,13,15-16H2,1H3,(H,28,30).
What are the key properties of pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 476.56 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl 3-cyano-2-[3-(2-methoxyphenyl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 11857359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).