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

C14H17ClN4OS — CID 106050087

IUPAC5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCc2csc(C)n2)c(Cl)cn1
InChIInChI=1S/C14H17ClN4OS/c1-3-16-13-6-11(12(15)7-18-13)14(20)17-5-4-10-8-21-9(2)19-10/h6-8H,3-5H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyZRGXRINTLAQJAJ-UHFFFAOYSA-N
MW324.84 g/mol
LogP2.90
Rot. Bonds6

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

5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide (PubChem CID 106050087) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
PubChem CID106050087
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NCCc2csc(C)n2)c(Cl)cn1
InChIInChI=1S/C14H17ClN4OS/c1-3-16-13-6-11(12(15)7-18-13)14(20)17-5-4-10-8-21-9(2)19-10/h6-8H,3-5H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyZRGXRINTLAQJAJ-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

3-chloro-6-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 106050133
5-chloro-2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 114921592
5-chloro-2-(ethylamino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 114921831
5-chloro-2-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 114924532
5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923493
N-(2-butoxyethyl)-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114923111
N-[2-(2-amino-2-oxoethoxy)ethyl]-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 106241240
5-chloro-2-(ethylamino)-N-[2-(2-methylpropoxy)ethyl]pyridine-4-carboxamide
CID 114924749
2-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-nitrobenzamide
CID 38163378
5-chloro-2-(ethylamino)-N-(2-methyl-2-methylsulfanylpropyl)pyridine-4-carboxamide
CID 114924529
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804
4-chloro-2-methoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 47451724

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide (CID 106050087) is 5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide is CCNc1cc(C(=O)NCCc2csc(C)n2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is ZRGXRINTLAQJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-3-16-13-6-11(12(15)7-18-13)14(20)17-5-4-10-8-21-9(2)19-10/h6-8H,3-5H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of 5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide?
5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-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 5-chloro-2-(ethylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 106050087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).