2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine

C16H21N3S — CID 79245640

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCc3sccc3C2)c1
InChIInChI=1S/C16H21N3S/c1-2-6-17-14-3-7-18-15(10-14)12-19-8-4-16-13(11-19)5-9-20-16/h3,5,7,9-10H,2,4,6,8,11-12H2,1H3,(H,17,18)
InChIKeyDDAWPLQWJMLNGM-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.52
Rot. Bonds5

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine (PubChem CID 79245640) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine
PubChem CID79245640
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCc3sccc3C2)c1
InChIInChI=1S/C16H21N3S/c1-2-6-17-14-3-7-18-15(10-14)12-19-8-4-16-13(11-19)5-9-20-16/h3,5,7,9-10H,2,4,6,8,11-12H2,1H3,(H,17,18)
InChIKeyDDAWPLQWJMLNGM-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine (CID 79245640) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine is CCCNc1ccnc(CN2CCc3sccc3C2)c1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine?
The InChIKey is DDAWPLQWJMLNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-6-17-14-3-7-18-15(10-14)12-19-8-4-16-13(11-19)5-9-20-16/h3,5,7,9-10H,2,4,6,8,11-12H2,1H3,(H,17,18).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-N-propylpyridin-4-amine is sourced from PubChem (CID 79245640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).