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

C12H14ClN5O2 — CID 106422895

IUPAC5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCc2noc(C)n2)c(Cl)cn1
InChIInChI=1S/C12H14ClN5O2/c1-7-17-10(18-20-7)3-4-15-12(19)8-5-11(14-2)16-6-9(8)13/h5-6H,3-4H2,1-2H3,(H,14,16)(H,15,19)
InChIKeyXRAATGCKFKPOCI-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.44
Rot. Bonds5

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

5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 106422895) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID106422895
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCCc2noc(C)n2)c(Cl)cn1
InChIInChI=1S/C12H14ClN5O2/c1-7-17-10(18-20-7)3-4-15-12(19)8-5-11(14-2)16-6-9(8)13/h5-6H,3-4H2,1-2H3,(H,14,16)(H,15,19)
InChIKeyXRAATGCKFKPOCI-UHFFFAOYSA-N
XLogP1.44
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923493
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
5-chloro-2-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106423147
5-chloro-2-(methylamino)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-4-carboxamide
CID 114922853
3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106422842
5-chloro-N-(2-cyclobutylethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924528
N-[3-(tert-butylamino)-3-oxopropyl]-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114924429
5-chloro-N-[3-(1H-imidazol-2-yl)propyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924673
5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242
2-chloro-6-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104952518
4-fluoro-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103820316

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide (CID 106422895) is 5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide is CNc1cc(C(=O)NCCc2noc(C)n2)c(Cl)cn1.
What is the InChIKey of 5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is XRAATGCKFKPOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-7-17-10(18-20-7)3-4-15-12(19)8-5-11(14-2)16-6-9(8)13/h5-6H,3-4H2,1-2H3,(H,14,16)(H,15,19).
What are the key properties of 5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide?
5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 106422895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).