6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C20H22ClN3O3S — CID 161135643

IUPAC6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)CCN1CCc2c(sc(CC(=O)Cc3ccc(Cl)cc3)c2C(N)=O)C1
InChIInChI=1S/C20H22ClN3O3S/c21-13-3-1-12(2-4-13)9-14(25)10-16-19(20(23)27)15-5-7-24(8-6-18(22)26)11-17(15)28-16/h1-4H,5-11H2,(H2,22,26)(H2,23,27)
InChIKeyYFROLKASGBNVMI-UHFFFAOYSA-N
MW419.93 g/mol
LogP2.09
Rot. Bonds8

About 6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 161135643) has the molecular formula C20H22ClN3O3S and a molecular weight of 419.93 g/mol. Its IUPAC name is 6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID161135643
Molecular FormulaC20H22ClN3O3S
Molecular Weight419.93 g/mol
Exact Mass419.11
IUPAC Name6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESNC(=O)CCN1CCc2c(sc(CC(=O)Cc3ccc(Cl)cc3)c2C(N)=O)C1
InChIInChI=1S/C20H22ClN3O3S/c21-13-3-1-12(2-4-13)9-14(25)10-16-19(20(23)27)15-5-7-24(8-6-18(22)26)11-17(15)28-16/h1-4H,5-11H2,(H2,22,26)(H2,23,27)
InChIKeyYFROLKASGBNVMI-UHFFFAOYSA-N
XLogP2.09
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[6-ethyl-3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]propan-2-one
CID 158386920
6-(4-hydroxybutyl)-2-(3-naphthalen-2-yl-2-oxopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 161235906
carbon dioxide;6-ethyl-2-[3-(4-methylphenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 158052139
2-[3-(4-chlorophenyl)-2-oxopropyl]-6-(cyclopropylmethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide iodide
CID 161116227
2-[3-(4-chlorophenyl)-2-oxopropyl]-6-(1-cyclobutylethyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-ium-3-carboxamide
CID 158561982
[2-amino-6-(2-phenylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(4-chlorophenyl)methanone
CID 18351235
ethyl 2-amino-6-[3-(4-chlorophenyl)propyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 22464823
(8R)-4-[3-(4-chlorophenyl)-2-oxopropyl]-5-thia-11-azatricyclo[6.2.1.02,6]undeca-2(6),3-diene-3-carboxamide
CID 158882062
6-benzyl-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16833053
2-acetamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4136200
6-[3-[3-(4-tert-butylphenyl)propanoylamino]propyl]-2-[(4-chlorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118307426
2-benzamido-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
CID 16798225

Frequently Asked Questions

What is the IUPAC name of 6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 161135643) is 6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is NC(=O)CCN1CCc2c(sc(CC(=O)Cc3ccc(Cl)cc3)c2C(N)=O)C1.
What is the InChIKey of 6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is YFROLKASGBNVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3S/c21-13-3-1-12(2-4-13)9-14(25)10-16-19(20(23)27)15-5-7-24(8-6-18(22)26)11-17(15)28-16/h1-4H,5-11H2,(H2,22,26)(H2,23,27).
What are the key properties of 6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 419.93 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-3-oxopropyl)-2-[3-(4-chlorophenyl)-2-oxopropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 161135643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).