2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C19H14N4OS — CID 1252847

IUPAC2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C19H14N4OS/c24-18(22-12-13-5-3-9-20-11-13)14-6-4-10-21-17(14)19-23-15-7-1-2-8-16(15)25-19/h1-11H,12H2,(H,22,24)
InChIKeyAZJUFMUPHNCIDT-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.68
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 1252847) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID1252847
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cccnc1-c1nc2ccccc2s1
InChIInChI=1S/C19H14N4OS/c24-18(22-12-13-5-3-9-20-11-13)14-6-4-10-21-17(14)19-23-15-7-1-2-8-16(15)25-19/h1-11H,12H2,(H,22,24)
InChIKeyAZJUFMUPHNCIDT-UHFFFAOYSA-N
XLogP3.68
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 1252847) is 2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1cccnc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AZJUFMUPHNCIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-18(22-12-13-5-3-9-20-11-13)14-6-4-10-21-17(14)19-23-15-7-1-2-8-16(15)25-19/h1-11H,12H2,(H,22,24).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 1252847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).