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

C12H14ClN5O2 — CID 62178076

IUPAC3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCc2nc(C)no2)n1
InChIInChI=1S/C12H14ClN5O2/c1-3-14-9-5-4-8(13)11(17-9)12(19)15-6-10-16-7(2)18-20-10/h4-5H,3,6H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyVYOKCFCSPFBNGI-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.79
Rot. Bonds5

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

3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide (PubChem CID 62178076) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is 3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
PubChem CID62178076
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC Name3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)NCc2nc(C)no2)n1
InChIInChI=1S/C12H14ClN5O2/c1-3-14-9-5-4-8(13)11(17-9)12(19)15-6-10-16-7(2)18-20-10/h4-5H,3,6H2,1-2H3,(H,14,17)(H,15,19)
InChIKeyVYOKCFCSPFBNGI-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-6-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62165294
3-chloro-6-(ethylamino)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 106376933
3-chloro-6-(methylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106422909
3-chloro-6-(ethylamino)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106422842
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-carboxamide
CID 62178606
3-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-4-carboxamide
CID 105069474
3-chloro-6-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-2-carboxamide
CID 63925355
2-amino-3-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 113331710
3-chloro-6-(ethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62165390
4-amino-3,5-dichloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 82832642
3-chloro-N-(2-chloro-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107631276
3-chloro-6-(methylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62181201

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide (CID 62178076) is 3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)NCc2nc(C)no2)n1.
What is the InChIKey of 3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
The InChIKey is VYOKCFCSPFBNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-3-14-9-5-4-8(13)11(17-9)12(19)15-6-10-16-7(2)18-20-10/h4-5H,3,6H2,1-2H3,(H,14,17)(H,15,19).
What are the key properties of 3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide?
3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide has a molecular weight of 295.73 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62178076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).