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

C14H17ClN4OS — CID 106050133

IUPAC3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCCc2csc(C)n2)n1
InChIInChI=1S/C14H17ClN4OS/c1-3-16-12-5-4-11(15)13(19-12)14(20)17-7-6-10-8-21-9(2)18-10/h4-5,8H,3,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyXBLQAOMKMJVEAS-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.90
Rot. Bonds6

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

3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 106050133) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID106050133
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCCc2csc(C)n2)n1
InChIInChI=1S/C14H17ClN4OS/c1-3-16-12-5-4-11(15)13(19-12)14(20)17-7-6-10-8-21-9(2)18-10/h4-5,8H,3,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyXBLQAOMKMJVEAS-UHFFFAOYSA-N
XLogP2.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106050087
3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106422842
3-amino-2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106032973
2-chloro-N-[2-[[N'-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111934002
3-chloro-6-(ethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2-carboxamide
CID 106432994
3-chloro-6-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
CID 62180159
3-chloro-N-(2-cyclopentylethyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62181281
3-chloro-N-(5-chloro-2-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62185558
2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrobenzamide
CID 38163378
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
4-chloro-2-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 47451724
3-chloro-6-(ethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62165390

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide (CID 106050133) is 3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)NCCc2csc(C)n2)n1.
What is the InChIKey of 3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is XBLQAOMKMJVEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-3-16-12-5-4-11(15)13(19-12)14(20)17-7-6-10-8-21-9(2)18-10/h4-5,8H,3,6-7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 324.84 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 106050133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).