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

C13H16N4OS — CID 63824011

IUPAC2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NCCc1cscn1
InChIInChI=1S/C13H16N4OS/c1-2-14-12-11(4-3-6-15-12)13(18)16-7-5-10-8-19-9-17-10/h3-4,6,8-9H,2,5,7H2,1H3,(H,14,15)(H,16,18)
InChIKeyBERNHSJVYCARKF-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.94
Rot. Bonds6

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

2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide (PubChem CID 63824011) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
PubChem CID63824011
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)NCCc1cscn1
InChIInChI=1S/C13H16N4OS/c1-2-14-12-11(4-3-6-15-12)13(18)16-7-5-10-8-19-9-17-10/h3-4,6,8-9H,2,5,7H2,1H3,(H,14,15)(H,16,18)
InChIKeyBERNHSJVYCARKF-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

2-(ethylamino)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 62173151
N-methyl-2-(propylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 62179926
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300
2-(ethylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 63247950
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)pyridine-3-carboxamide
CID 62978746
3-fluoro-2-(methylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63824200
2-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 62168328
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522135
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
ethyl 2-(1,3-thiazol-4-ylmethylamino)pyridine-3-carboxylate
CID 63831190
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide (CID 63824011) is 2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide is CCNc1ncccc1C(=O)NCCc1cscn1.
What is the InChIKey of 2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is BERNHSJVYCARKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-14-12-11(4-3-6-15-12)13(18)16-7-5-10-8-19-9-17-10/h3-4,6,8-9H,2,5,7H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide?
2-(ethylamino)-N-[2-(1,3-thiazol-4-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 2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 63824011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).