5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C14H16ClN3O2S — CID 71913866

IUPAC5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cnc(CCNC(=O)c2c[nH]c(C)c(Cl)c2=O)s1
InChIInChI=1S/C14H16ClN3O2S/c1-3-9-6-18-11(21-9)4-5-16-14(20)10-7-17-8(2)12(15)13(10)19/h6-7H,3-5H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyBUHLJSYAWWXUKA-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.33
Rot. Bonds5

About 5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 71913866) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID71913866
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cnc(CCNC(=O)c2c[nH]c(C)c(Cl)c2=O)s1
InChIInChI=1S/C14H16ClN3O2S/c1-3-9-6-18-11(21-9)4-5-16-14(20)10-7-17-8(2)12(15)13(10)19/h6-7H,3-5H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyBUHLJSYAWWXUKA-UHFFFAOYSA-N
XLogP2.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 71913866) is 5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is CCc1cnc(CCNC(=O)c2c[nH]c(C)c(Cl)c2=O)s1.
What is the InChIKey of 5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BUHLJSYAWWXUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-3-9-6-18-11(21-9)4-5-16-14(20)10-7-17-8(2)12(15)13(10)19/h6-7H,3-5H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 325.82 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71913866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).