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

C13H16N4OS — CID 55175820

IUPAC6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCc2nccs2)cn1
InChIInChI=1S/C13H16N4OS/c1-2-14-11-4-3-10(9-17-11)13(18)16-6-5-12-15-7-8-19-12/h3-4,7-9H,2,5-6H2,1H3,(H,14,17)(H,16,18)
InChIKeyHHVJEJMUZLNOBD-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.94
Rot. Bonds6

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

6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 55175820) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID55175820
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCCNc1ccc(C(=O)NCCc2nccs2)cn1
InChIInChI=1S/C13H16N4OS/c1-2-14-11-4-3-10(9-17-11)13(18)16-6-5-12-15-7-8-19-12/h3-4,7-9H,2,5-6H2,1H3,(H,14,17)(H,16,18)
InChIKeyHHVJEJMUZLNOBD-UHFFFAOYSA-N
XLogP1.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 66462176
6-(ethylamino)-N-(2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 62176103
4-(ethylamino)-3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63245324
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
4-(ethylamino)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81241331
4-(bromomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113241891
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 60732249
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridine-3-carboxamide
CID 62165858
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71709739

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (CID 55175820) is 6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is CCNc1ccc(C(=O)NCCc2nccs2)cn1.
What is the InChIKey of 6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is HHVJEJMUZLNOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-14-11-4-3-10(9-17-11)13(18)16-6-5-12-15-7-8-19-12/h3-4,7-9H,2,5-6H2,1H3,(H,14,17)(H,16,18).
What are the key properties of 6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 55175820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).