2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide

C12H13ClN4O2 — CID 104952518

IUPAC2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2noc(C)n2)cc(Cl)n1
InChIInChI=1S/C12H13ClN4O2/c1-7-5-9(6-10(13)15-7)12(18)14-4-3-11-16-8(2)19-17-11/h5-6H,3-4H2,1-2H3,(H,14,18)
InChIKeyJKMPTGYWGGLMMN-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.71
Rot. Bonds4

About 2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide

2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 104952518) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID104952518
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCCc2noc(C)n2)cc(Cl)n1
InChIInChI=1S/C12H13ClN4O2/c1-7-5-9(6-10(13)15-7)12(18)14-4-3-11-16-8(2)19-17-11/h5-6H,3-4H2,1-2H3,(H,14,18)
InChIKeyJKMPTGYWGGLMMN-UHFFFAOYSA-N
XLogP1.71
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413224
3-chloro-4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103736148
2-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 114186911
2-chloro-N-ethyl-6-methylpyridine-4-carboxamide
CID 89150895
4-amino-3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 102978698
2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 114186360
N-(5-amino-5-oxopentyl)-2-chloro-6-methylpyridine-4-carboxamide
CID 104955488
4-(2-aminoethyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106415935
3-amino-4-bromo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413272
2-chloro-N-(3-hydroxypentyl)-6-methylpyridine-4-carboxamide
CID 113497559
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(propylamino)benzamide
CID 106422861
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106423147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide (CID 104952518) is 2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide is Cc1cc(C(=O)NCCc2noc(C)n2)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is JKMPTGYWGGLMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-7-5-9(6-10(13)15-7)12(18)14-4-3-11-16-8(2)19-17-11/h5-6H,3-4H2,1-2H3,(H,14,18).
What are the key properties of 2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 104952518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).