N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide

C19H19N3OS — CID 110111082

IUPACN-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(-c2scnc2C)c1
InChIInChI=1S/C19H19N3OS/c1-3-22(12-15-7-5-4-6-8-15)19(23)16-9-10-20-17(11-16)18-14(2)21-13-24-18/h4-11,13H,3,12H2,1-2H3
InChIKeyMDDHLSXHDGJZBJ-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.18
Rot. Bonds5

About N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide

N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide (PubChem CID 110111082) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
PubChem CID110111082
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccnc(-c2scnc2C)c1
InChIInChI=1S/C19H19N3OS/c1-3-22(12-15-7-5-4-6-8-15)19(23)16-9-10-20-17(11-16)18-14(2)21-13-24-18/h4-11,13H,3,12H2,1-2H3
InChIKeyMDDHLSXHDGJZBJ-UHFFFAOYSA-N
XLogP4.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide (CID 110111082) is N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccnc(-c2scnc2C)c1.
What is the InChIKey of N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide?
The InChIKey is MDDHLSXHDGJZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-3-22(12-15-7-5-4-6-8-15)19(23)16-9-10-20-17(11-16)18-14(2)21-13-24-18/h4-11,13H,3,12H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide?
N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 110111082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).