N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide

C12H15N5O2 — CID 6625601

IUPACN-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1nc(-c2cccnc2)no1
InChIInChI=1S/C12H15N5O2/c1-17(2)7-6-14-11(18)12-15-10(16-19-12)9-4-3-5-13-8-9/h3-5,8H,6-7H2,1-2H3,(H,14,18)
InChIKeySCYOQQYJUPDLIC-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.42
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 6625601) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID6625601
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1nc(-c2cccnc2)no1
InChIInChI=1S/C12H15N5O2/c1-17(2)7-6-14-11(18)12-15-10(16-19-12)9-4-3-5-13-8-9/h3-5,8H,6-7H2,1-2H3,(H,14,18)
InChIKeySCYOQQYJUPDLIC-UHFFFAOYSA-N
XLogP0.42
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide (CID 6625601) is N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide is CN(C)CCNC(=O)c1nc(-c2cccnc2)no1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is SCYOQQYJUPDLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-17(2)7-6-14-11(18)12-15-10(16-19-12)9-4-3-5-13-8-9/h3-5,8H,6-7H2,1-2H3,(H,14,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 6625601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).