5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide

C19H19N3OS — CID 58107276

IUPAC5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(CNCc3ccccc3)cn2)s1
InChIInChI=1S/C19H19N3OS/c1-20-19(23)18-10-9-17(24-18)16-8-7-15(13-22-16)12-21-11-14-5-3-2-4-6-14/h2-10,13,21H,11-12H2,1H3,(H,20,23)
InChIKeyDZPCTKNYNAIPTG-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.46
Rot. Bonds6

About 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide

5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide (PubChem CID 58107276) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide
PubChem CID58107276
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(CNCc3ccccc3)cn2)s1
InChIInChI=1S/C19H19N3OS/c1-20-19(23)18-10-9-17(24-18)16-8-7-15(13-22-16)12-21-11-14-5-3-2-4-6-14/h2-10,13,21H,11-12H2,1H3,(H,20,23)
InChIKeyDZPCTKNYNAIPTG-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide (CID 58107276) is 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide is CNC(=O)c1ccc(-c2ccc(CNCc3ccccc3)cn2)s1.
What is the InChIKey of 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide?
The InChIKey is DZPCTKNYNAIPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-20-19(23)18-10-9-17(24-18)16-8-7-15(13-22-16)12-21-11-14-5-3-2-4-6-14/h2-10,13,21H,11-12H2,1H3,(H,20,23).
What are the key properties of 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide?
5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(benzylamino)methyl]-2-pyridinyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 58107276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).