N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

C14H17N3O2S — CID 71994030

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCc1cnc(CCNC(=O)c2ccn(C)c(=O)c2)s1
InChIInChI=1S/C14H17N3O2S/c1-3-11-9-16-12(20-11)4-6-15-14(19)10-5-7-17(2)13(18)8-10/h5,7-9H,3-4,6H2,1-2H3,(H,15,19)
InChIKeyXNFXPBJFYQIYIA-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.38
Rot. Bonds5

About N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 71994030) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID71994030
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCc1cnc(CCNC(=O)c2ccn(C)c(=O)c2)s1
InChIInChI=1S/C14H17N3O2S/c1-3-11-9-16-12(20-11)4-6-15-14(19)10-5-7-17(2)13(18)8-10/h5,7-9H,3-4,6H2,1-2H3,(H,15,19)
InChIKeyXNFXPBJFYQIYIA-UHFFFAOYSA-N
XLogP1.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 71994030) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is CCc1cnc(CCNC(=O)c2ccn(C)c(=O)c2)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is XNFXPBJFYQIYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-11-9-16-12(20-11)4-6-15-14(19)10-5-7-17(2)13(18)8-10/h5,7-9H,3-4,6H2,1-2H3,(H,15,19).
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 71994030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).