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

C12H15N5O2 — CID 106409098

IUPAC3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCc1ncon1
InChIInChI=1S/C12H15N5O2/c1-2-14-10-7-13-5-3-9(10)12(18)15-6-4-11-16-8-19-17-11/h3,5,7-8,14H,2,4,6H2,1H3,(H,15,18)
InChIKeyGVLBRXBXOHWLBI-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.87
Rot. Bonds6

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

3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 106409098) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID106409098
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)NCCc1ncon1
InChIInChI=1S/C12H15N5O2/c1-2-14-10-7-13-5-3-9(10)12(18)15-6-4-11-16-8-19-17-11/h3,5,7-8,14H,2,4,6H2,1H3,(H,15,18)
InChIKeyGVLBRXBXOHWLBI-UHFFFAOYSA-N
XLogP0.87
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(ethylamino)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409041
5-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106409133
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
CID 105071026
4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106394006
3-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-4-carboxamide
CID 105070362
N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105071246
2-hydrazinyl-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409422
3-(ethylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-carboxamide
CID 106408256
N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
N-cyclopentyl-3-(ethylamino)pyridine-4-carboxamide
CID 105068169
3-(ethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-4-carboxamide
CID 105069888
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105069549

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide (CID 106409098) is 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide is CCNc1cnccc1C(=O)NCCc1ncon1.
What is the InChIKey of 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is GVLBRXBXOHWLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-14-10-7-13-5-3-9(10)12(18)15-6-4-11-16-8-19-17-11/h3,5,7-8,14H,2,4,6H2,1H3,(H,15,18).
What are the key properties of 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 106409098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).