2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine

C19H14ClN3S — CID 44528535

IUPAC2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine
SMILESClc1ccc(-c2cc3c(NCc4ccncc4)nccc3s2)cc1
InChIInChI=1S/C19H14ClN3S/c20-15-3-1-14(2-4-15)18-11-16-17(24-18)7-10-22-19(16)23-12-13-5-8-21-9-6-13/h1-11H,12H2,(H,22,23)
InChIKeyIODIUPZYGBQVMD-UHFFFAOYSA-N
MW351.86 g/mol
LogP5.62
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine

2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 44528535) has the molecular formula C19H14ClN3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine
PubChem CID44528535
Molecular FormulaC19H14ClN3S
Molecular Weight351.86 g/mol
Exact Mass351.06
IUPAC Name2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine
SMILESClc1ccc(-c2cc3c(NCc4ccncc4)nccc3s2)cc1
InChIInChI=1S/C19H14ClN3S/c20-15-3-1-14(2-4-15)18-11-16-17(24-18)7-10-22-19(16)23-12-13-5-8-21-9-6-13/h1-11H,12H2,(H,22,23)
InChIKeyIODIUPZYGBQVMD-UHFFFAOYSA-N
XLogP5.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine (CID 44528535) is 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine is Clc1ccc(-c2cc3c(NCc4ccncc4)nccc3s2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is IODIUPZYGBQVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3S/c20-15-3-1-14(2-4-15)18-11-16-17(24-18)7-10-22-19(16)23-12-13-5-8-21-9-6-13/h1-11H,12H2,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine?
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 351.86 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 44528535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).