6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone

C16H19N3OS — CID 62171689

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncccc1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C16H19N3OS/c1-2-7-17-15-13(4-3-8-18-15)16(20)19-9-5-14-12(11-19)6-10-21-14/h3-4,6,8,10H,2,5,7,9,11H2,1H3,(H,17,18)
InChIKeyVYFAYFYLYAELRI-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.16
Rot. Bonds4

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone (PubChem CID 62171689) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone
PubChem CID62171689
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ncccc1C(=O)N1CCc2sccc2C1
InChIInChI=1S/C16H19N3OS/c1-2-7-17-15-13(4-3-8-18-15)16(20)19-9-5-14-12(11-19)6-10-21-14/h3-4,6,8,10H,2,5,7,9,11H2,1H3,(H,17,18)
InChIKeyVYFAYFYLYAELRI-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-pyridinyl]methanone
CID 62171688
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105384386
4-[2-(propylamino)pyridine-3-carbonyl]piperazine-2,6-dione
CID 66062042
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[2-(propylamino)-3-pyridinyl]methanone
CID 115561651
(2-ethylmorpholin-4-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62170255
N-[2-(pyrimidin-2-ylamino)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 51084885
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-3-pyridinyl]methanone
CID 29326752
N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55826332
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-phenoxyphenyl)methanone
CID 42470095
[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
2-(propylamino)pyridine-3-carboxylate
CID 22068597
(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172000

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone (CID 62171689) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone is CCCNc1ncccc1C(=O)N1CCc2sccc2C1.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone?
The InChIKey is VYFAYFYLYAELRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-7-17-15-13(4-3-8-18-15)16(20)19-9-5-14-12(11-19)6-10-21-14/h3-4,6,8,10H,2,5,7,9,11H2,1H3,(H,17,18).
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone has a molecular weight of 301.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 62171689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).